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

C16H15ClN2O2S — CID 1257684

IUPAC2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15ClN2O2S/c1-10(22-12-8-6-11(17)7-9-12)16(21)19-14-5-3-2-4-13(14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyQCDKGDPSNWBWDY-JTQLQIEISA-N
MW334.83 g/mol
LogP3.56
Rot. Bonds5

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

2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 1257684) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID1257684
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H15ClN2O2S/c1-10(22-12-8-6-11(17)7-9-12)16(21)19-14-5-3-2-4-13(14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyQCDKGDPSNWBWDY-JTQLQIEISA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 26294213
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956454
2-[[(2R)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 99956456
2-[2-[4-[[(Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide
CID 21384401
2-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)propanamide
CID 134037936
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
6-[[4-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 22785676
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 18109178

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide (CID 1257684) is 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is QCDKGDPSNWBWDY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10(22-12-8-6-11(17)7-9-12)16(21)19-14-5-3-2-4-13(14)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide?
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 334.83 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 1257684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).