N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide

C13H20ClN3O3S — CID 47524076

IUPACN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
SMILESCN(CCCNS(C)(=O)=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-17(8-4-7-15-21(2,19)20)10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyCAWQMWUQSQLUNX-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.15
Rot. Bonds8

About N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide

N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide (PubChem CID 47524076) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
PubChem CID47524076
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC NameN-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
SMILESCN(CCCNS(C)(=O)=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-17(8-4-7-15-21(2,19)20)10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyCAWQMWUQSQLUNX-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
CID 60509196
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide (CID 47524076) is N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide is CN(CCCNS(C)(=O)=O)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
The InChIKey is CAWQMWUQSQLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-17(8-4-7-15-21(2,19)20)10-13(18)16-12-6-3-5-11(14)9-12/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide?
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide has a molecular weight of 333.84 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide is sourced from PubChem (CID 47524076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).