4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid

C143H149ClN12O19S — CID 159748177

IUPAC4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid
SMILESCOc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cc(Cl)ccn2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H24N2O3S.C24H26N2O4.2C24H26N2O3.C23H23ClN2O3.C23H24N2O3/c28-24(29)12-6-7-19-13-15-21(16-14-19)30-18-17-27(20-8-2-1-3-9-20)25-26-22-10-4-5-11-23(22)31-25;1-29-23-11-6-10-22(25-23)26(20-8-3-2-4-9-20)17-18-30-21-15-13-19(14-16-21)7-5-12-24(27)28;1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28;1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28;24-19-13-14-25-22(17-19)26(20-6-2-1-3-7-20)15-16-29-21-11-9-18(10-12-21)5-4-8-23(27)28;26-23(27)10-4-6-19-11-13-22(14-12-19)28-17-16-25(20-7-2-1-3-8-20)21-9-5-15-24-18-21/h1-5,8-11,13-16H,6-7,12,17-18H2,(H,28,29);2-4,6,8-11,13-16H,5,7,12,17-18H2,1H3,(H,27,28);2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28);2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28);1-3,6-7,9-14,17H,4-5,8,15-16H2,(H,27,28);1-3,5,7-9,11-15,18H,4,6,10,16-17H2,(H,26,27)
InChIKeyNDHVTRNYUIYPQZ-UHFFFAOYSA-N
MW2407.35 g/mol
LogP30.73
Rot. Bonds61

About 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid

4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid (PubChem CID 159748177) has the molecular formula C143H149ClN12O19S and a molecular weight of 2407.35 g/mol. Its IUPAC name is 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid
PubChem CID159748177
Molecular FormulaC143H149ClN12O19S
Molecular Weight2407.35 g/mol
Exact Mass2405.05
IUPAC Name4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid
SMILESCOc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cc(Cl)ccn2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H24N2O3S.C24H26N2O4.2C24H26N2O3.C23H23ClN2O3.C23H24N2O3/c28-24(29)12-6-7-19-13-15-21(16-14-19)30-18-17-27(20-8-2-1-3-9-20)25-26-22-10-4-5-11-23(22)31-25;1-29-23-11-6-10-22(25-23)26(20-8-3-2-4-9-20)17-18-30-21-15-13-19(14-16-21)7-5-12-24(27)28;1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28;1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28;24-19-13-14-25-22(17-19)26(20-6-2-1-3-7-20)15-16-29-21-11-9-18(10-12-21)5-4-8-23(27)28;26-23(27)10-4-6-19-11-13-22(14-12-19)28-17-16-25(20-7-2-1-3-8-20)21-9-5-15-24-18-21/h1-5,8-11,13-16H,6-7,12,17-18H2,(H,28,29);2-4,6,8-11,13-16H,5,7,12,17-18H2,1H3,(H,27,28);2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28);2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28);1-3,6-7,9-14,17H,4-5,8,15-16H2,(H,27,28);1-3,5,7-9,11-15,18H,4,6,10,16-17H2,(H,26,27)
InChIKeyNDHVTRNYUIYPQZ-UHFFFAOYSA-N
XLogP30.73
TPSA385.19 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds61
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002407.35
LogP ≤ 530.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid with MolForge

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Related Compounds

4-N-[2-(4-butylphenoxy)ethyl]-1-N,1-N-dimethyl-4-N-pyridin-2-ylbenzene-1,4-diamine;N-[2-(4-butylphenoxy)ethyl]-6-methoxy-N-phenylpyridin-2-amine;N-[2-(4-butylphenoxy)ethyl]-6-methyl-N-phenylpyridin-2-amine;4-[4-[2-[N-(1,3-thiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid
CID 158126262
4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid
CID 25109446
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967171
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967194
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 18572499
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pentoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40983145
2-[3-[[1,3-benzothiazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]butanoic acid
CID 58694897
2-(3-methylphenoxy)ethyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 55320432
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide
CID 41319061

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid?
The IUPAC name of 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid (CID 159748177) is 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid is COc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cc(Cl)ccn2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid?
The InChIKey is NDHVTRNYUIYPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S.C24H26N2O4.2C24H26N2O3.C23H23ClN2O3.C23H24N2O3/c28-24(29)12-6-7-19-13-15-21(16-14-19)30-18-17-27(20-8-2-1-3-9-20)25-26-22-10-4-5-11-23(22)31-25;1-29-23-11-6-10-22(25-23)26(20-8-3-2-4-9-20)17-18-30-21-15-13-19(14-16-21)7-5-12-24(27)28;1-19-7-5-11-23(25-19)26(21-9-3-2-4-10-21)17-18-29-22-15-13-20(14-16-22)8-6-12-24(27)28;1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28;24-19-13-14-25-22(17-19)26(20-6-2-1-3-7-20)15-16-29-21-11-9-18(10-12-21)5-4-8-23(27)28;26-23(27)10-4-6-19-11-13-22(14-12-19)28-17-16-25(20-7-2-1-3-8-20)21-9-5-15-24-18-21/h1-5,8-11,13-16H,6-7,12,17-18H2,(H,28,29);2-4,6,8-11,13-16H,5,7,12,17-18H2,1H3,(H,27,28);2-5,7,9-11,13-16H,6,8,12,17-18H2,1H3,(H,27,28);2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28);1-3,6-7,9-14,17H,4-5,8,15-16H2,(H,27,28);1-3,5,7-9,11-15,18H,4,6,10,16-17H2,(H,26,27).
What are the key properties of 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid?
4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid has a molecular weight of 2407.35 g/mol, XLogP of 30.73, 61 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid is sourced from PubChem (CID 159748177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).