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

C16H15BrN2O2S — CID 7785394

IUPAC4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15BrN2O2S/c1-10(22-14-8-4-12(17)5-9-14)16(21)19-13-6-2-11(3-7-13)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyUCGCFGZGOFJHCC-JTQLQIEISA-N
MW379.28 g/mol
LogP3.67
Rot. Bonds5

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

4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide (PubChem CID 7785394) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
PubChem CID7785394
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
SMILESC[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15BrN2O2S/c1-10(22-14-8-4-12(17)5-9-14)16(21)19-13-6-2-11(3-7-13)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1
InChIKeyUCGCFGZGOFJHCC-JTQLQIEISA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]benzamide
CID 7847449
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
2-(4-bromophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569774
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
4-[[(2R)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]benzamide
CID 40809539

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide (CID 7785394) is 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide is C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is UCGCFGZGOFJHCC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-10(22-14-8-4-12(17)5-9-14)16(21)19-13-6-2-11(3-7-13)15(18)20/h2-10H,1H3,(H2,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide?
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 379.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 7785394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).