3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide

C14H21ClN2O3S — CID 113136739

IUPAC3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-9-17(21(2,19)20)10-8-14(18)16-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyNEZHVHYJHQIORF-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.73
Rot. Bonds8

About 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide

3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide (PubChem CID 113136739) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
PubChem CID113136739
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-3-4-9-17(21(2,19)20)10-8-14(18)16-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyNEZHVHYJHQIORF-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide (CID 113136739) is 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide is CCCCN(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide?
The InChIKey is NEZHVHYJHQIORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-4-9-17(21(2,19)20)10-8-14(18)16-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113136739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).