4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C20H19N3O2S2 — CID 17361496

IUPAC4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-14-2-4-15(5-3-14)12-26-13-18(24)22-17-8-6-16(7-9-17)19(25)23-20-21-10-11-27-20/h2-11H,12-13H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyUUSZJWZXYOEJIF-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.58
Rot. Bonds7

About 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361496) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361496
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(CSCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-14-2-4-15(5-3-14)12-26-13-18(24)22-17-8-6-16(7-9-17)19(25)23-20-21-10-11-27-20/h2-11H,12-13H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyUUSZJWZXYOEJIF-UHFFFAOYSA-N
XLogP4.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361497
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethyl]benzoic acid
CID 94804434
N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
CID 1412173
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 16549241
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
4-methyl-N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19298977
4-[3-(2,4-dimethylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 55669637
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361496) is 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is Cc1ccc(CSCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UUSZJWZXYOEJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-14-2-4-15(5-3-14)12-26-13-18(24)22-17-8-6-16(7-9-17)19(25)23-20-21-10-11-27-20/h2-11H,12-13H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 397.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).