N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide

C23H25N3O3S2 — CID 18899520

IUPACN-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1
InChIInChI=1S/C23H25N3O3S2/c1-3-4-8-21(27)24-17-6-5-7-19(13-17)30-15-22(28)26-23-25-20(14-31-23)16-9-11-18(29-2)12-10-16/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyPSPIRSLHPVFPJJ-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.68
Rot. Bonds10

About N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide

N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide (PubChem CID 18899520) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide
PubChem CID18899520
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1
InChIInChI=1S/C23H25N3O3S2/c1-3-4-8-21(27)24-17-6-5-7-19(13-17)30-15-22(28)26-23-25-20(14-31-23)16-9-11-18(29-2)12-10-16/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyPSPIRSLHPVFPJJ-UHFFFAOYSA-N
XLogP5.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899154
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18900240
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]butanamide
CID 18899156
4-methoxy-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18899667
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 18899148
N-[3-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18899657
4-[3-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 18895417
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18899377
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18900306
N-[(E)-1-(4-methoxyphenyl)-3-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19302964
N-[(E)-1-(2,4-dimethoxyphenyl)-3-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19302673

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide (CID 18899520) is N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1cccc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1.
What is the InChIKey of N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide?
The InChIKey is PSPIRSLHPVFPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-3-4-8-21(27)24-17-6-5-7-19(13-17)30-15-22(28)26-23-25-20(14-31-23)16-9-11-18(29-2)12-10-16/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide?
N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide has a molecular weight of 455.61 g/mol, XLogP of 5.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 18899520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).