N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide

C17H19ClN2O3S — CID 2947130

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-3-9-16(10-4-12)24(22,23)20-13(2)17(21)19-11-14-5-7-15(18)8-6-14/h3-10,13,20H,11H2,1-2H3,(H,19,21)
InChIKeyMBWOKHWGDXZVFT-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide

N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2947130) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2947130
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-3-9-16(10-4-12)24(22,23)20-13(2)17(21)19-11-14-5-7-15(18)8-6-14/h3-10,13,20H,11H2,1-2H3,(H,19,21)
InChIKeyMBWOKHWGDXZVFT-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[[3-[[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]methyl]phenyl]methyl]propanamide
CID 23246044
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 2947130) is N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is MBWOKHWGDXZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-3-9-16(10-4-12)24(22,23)20-13(2)17(21)19-11-14-5-7-15(18)8-6-14/h3-10,13,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 366.87 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2947130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).