2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide

C19H20N2O2S — CID 34744685

IUPAC2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-3-13-20-19(23)16-11-7-8-12-17(16)21-18(22)14(2)24-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyVOVXOTYWROWXLW-AWEZNQCLSA-N
MW340.45 g/mol
LogP3.72
Rot. Bonds7

About 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide

2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 34744685) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
PubChem CID34744685
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-3-13-20-19(23)16-11-7-8-12-17(16)21-18(22)14(2)24-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyVOVXOTYWROWXLW-AWEZNQCLSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-[(1S)-1-phenylethyl]-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 126117121
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2193981
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
2-[2-(4-chlorophenoxy)propanoylamino]-N-prop-2-enylbenzamide
CID 4944066
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide (CID 34744685) is 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is VOVXOTYWROWXLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-13-20-19(23)16-11-7-8-12-17(16)21-18(22)14(2)24-15-9-5-4-6-10-15/h3-12,14H,1,13H2,2H3,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide?
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 34744685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).