4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide

C18H19N3O3S — CID 7999917

IUPAC4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-11(25-16-9-7-14(8-10-16)20-12(2)22)18(24)21-15-5-3-13(4-6-15)17(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,22)(H,21,24)/t11-/m0/s1
InChIKeyFWZCMPFHJJMWOH-NSHDSACASA-N
MW357.44 g/mol
LogP2.86
Rot. Bonds6

About 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide

4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 7999917) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID7999917
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
SMILESCC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-11(25-16-9-7-14(8-10-16)20-12(2)22)18(24)21-15-5-3-13(4-6-15)17(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,22)(H,21,24)/t11-/m0/s1
InChIKeyFWZCMPFHJJMWOH-NSHDSACASA-N
XLogP2.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806555
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide (CID 7999917) is 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide is CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is FWZCMPFHJJMWOH-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(25-16-9-7-14(8-10-16)20-12(2)22)18(24)21-15-5-3-13(4-6-15)17(19)23/h3-11H,1-2H3,(H2,19,23)(H,20,22)(H,21,24)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide?
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 7999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).