N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

C18H21ClN2O3S — CID 2382503

IUPACN-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O3S/c1-13-3-8-17(11-14(13)2)25(23,24)21-10-9-18(22)20-12-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKOHJUFPDTXLWOL-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.94
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide

N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 2382503) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID2382503
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O3S/c1-13-3-8-17(11-14(13)2)25(23,24)21-10-9-18(22)20-12-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKOHJUFPDTXLWOL-UHFFFAOYSA-N
XLogP2.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N-(4-chlorobenzyl)-N~2~-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 1343866
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2536589
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2699439
N-[(3,4-Dichlorophenyl)methyl]-3-(4-methylbenzenesulfonamido)propanamide
CID 4141822

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide (CID 2382503) is N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is KOHJUFPDTXLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-3-8-17(11-14(13)2)25(23,24)21-10-9-18(22)20-12-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide?
N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 380.90 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2382503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).