N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide

C18H21ClN2O3S — CID 29281469

IUPACN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-12-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyUOACGYDPFMJZOY-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.06
Rot. Bonds8

About N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide

N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide (PubChem CID 29281469) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
PubChem CID29281469
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-2-12-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyUOACGYDPFMJZOY-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874380
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790406
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-ethylphenyl)acetamide
CID 1338968
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100790408
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide (CID 29281469) is N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide is CCCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide?
The InChIKey is UOACGYDPFMJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-12-21(25(23,24)17-10-8-16(19)9-11-17)14-18(22)20-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide?
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide has a molecular weight of 380.90 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide is sourced from PubChem (CID 29281469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).