2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C27H26ClN3O5S2 — CID 100799089

IUPAC2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl
InChIInChI=1S/C27H26ClN3O5S2/c1-17-8-10-25(36-4)26(12-17)38(33,34)31(21-9-11-24(35-3)22(28)14-21)15-27(32)30-20-7-5-6-19(13-20)23-16-37-18(2)29-23/h5-14,16H,15H2,1-4H3,(H,30,32)
InChIKeyVWEYCFUVOFWQKO-UHFFFAOYSA-N
MW572.11 g/mol
LogP5.93
Rot. Bonds9

About 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100799089) has the molecular formula C27H26ClN3O5S2 and a molecular weight of 572.11 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100799089
Molecular FormulaC27H26ClN3O5S2
Molecular Weight572.11 g/mol
Exact Mass571.10
IUPAC Name2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl
InChIInChI=1S/C27H26ClN3O5S2/c1-17-8-10-25(36-4)26(12-17)38(33,34)31(21-9-11-24(35-3)22(28)14-21)15-27(32)30-20-7-5-6-19(13-20)23-16-37-18(2)29-23/h5-14,16H,15H2,1-4H3,(H,30,32)
InChIKeyVWEYCFUVOFWQKO-UHFFFAOYSA-N
XLogP5.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100799144
2-[cyclohexyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100800011
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 100797080
ethyl 2-[4-[[2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetyl]amino]phenyl]acetate
CID 100797024
2-(3,4-dichloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3668797
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
4-tert-butyl-N-[3-[[2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]phenyl]benzamide
CID 43902609
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861508
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100799089) is 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is COc1ccc(N(CC(=O)Nc2cccc(-c3csc(C)n3)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is VWEYCFUVOFWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O5S2/c1-17-8-10-25(36-4)26(12-17)38(33,34)31(21-9-11-24(35-3)22(28)14-21)15-27(32)30-20-7-5-6-19(13-20)23-16-37-18(2)29-23/h5-14,16H,15H2,1-4H3,(H,30,32).
What are the key properties of 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 572.11 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100799089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).