4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide

C17H17ClN2O2S — CID 8580249

IUPAC4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
SMILESC[C@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-10-12-2-6-14(18)7-3-12)17(22)20-15-8-4-13(5-9-15)16(19)21/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22)/t11-/m0/s1
InChIKeySZCGIQMQIMZQBJ-NSHDSACASA-N
MW348.86 g/mol
LogP3.70
Rot. Bonds6

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

4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide (PubChem CID 8580249) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
PubChem CID8580249
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
SMILESC[C@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-11(23-10-12-2-6-14(18)7-3-12)17(22)20-15-8-4-13(5-9-15)16(19)21/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22)/t11-/m0/s1
InChIKeySZCGIQMQIMZQBJ-NSHDSACASA-N
XLogP3.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
N-(4-acetylphenyl)-2-[(4-methylphenyl)methylsulfanyl]propanamide
CID 42950256
N-(4-acetylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]propanamide
CID 42950261
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
methyl 3-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanylpropanoate
CID 8766289
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]benzamide
CID 7907106
4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 42902457
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide (CID 8580249) is 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide is C[C@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide?
The InChIKey is SZCGIQMQIMZQBJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-11(23-10-12-2-6-14(18)7-3-12)17(22)20-15-8-4-13(5-9-15)16(19)21/h2-9,11H,10H2,1H3,(H2,19,21)(H,20,22)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide?
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide has a molecular weight of 348.86 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide is sourced from PubChem (CID 8580249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).