2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide

C20H19N3O2S2 — CID 19630732

IUPAC2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-5-3-4-6-17(13)19(25)22-15-7-9-16(10-8-15)27-14(2)18(24)23-20-21-11-12-26-20/h3-12,14H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZHJWTKBNHXSEGC-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.82
Rot. Bonds6

About 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide

2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (PubChem CID 19630732) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
PubChem CID19630732
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(SC(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-5-3-4-6-17(13)19(25)22-15-7-9-16(10-8-15)27-14(2)18(24)23-20-21-11-12-26-20/h3-12,14H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyZHJWTKBNHXSEGC-UHFFFAOYSA-N
XLogP4.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630089
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 19711913
2-methyl-N-[4-[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 23095609
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
N-[4-[1-(4-butoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 23095715
N-[4-[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 23099221
2-[[4-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785215
N-[(Z)-1-(2-fluorophenyl)-3-oxo-3-[4-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 124558371
8-[[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785173
2-chloro-N-[2-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 23880028
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22777805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide (CID 19630732) is 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(SC(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is ZHJWTKBNHXSEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-5-3-4-6-17(13)19(25)22-15-7-9-16(10-8-15)27-14(2)18(24)23-20-21-11-12-26-20/h3-12,14H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide?
2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 397.53 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19630732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).