2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide

C19H21ClN2O2S — CID 132762509

IUPAC2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-14(19(24)21-2)22(12-15-7-6-8-16(20)11-15)18(23)13-25-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyQEJWREZIHUVIHT-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.60
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide

2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide (PubChem CID 132762509) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
PubChem CID132762509
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21ClN2O2S/c1-14(19(24)21-2)22(12-15-7-6-8-16(20)11-15)18(23)13-25-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyQEJWREZIHUVIHT-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzylsulfanylacetyl)-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132763140
2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylpropanamide
CID 133196589
2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132655936
(2S)-2-[(3-chlorophenyl)methyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700642
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
(2R)-2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 100700604
2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132654274
2-[(3-chlorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclopentylpropanamide
CID 133193986
(2R)-2-[(3-chlorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100618407
2-[(3-chlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylpropanamide
CID 132947683
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132662463
N-[(3-chlorophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100616508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide (CID 132762509) is 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The InChIKey is QEJWREZIHUVIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-14(19(24)21-2)22(12-15-7-6-8-16(20)11-15)18(23)13-25-17-9-4-3-5-10-17/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide has a molecular weight of 376.91 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132762509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).