4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide

C15H23ClN2O3S — CID 53285441

IUPAC4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)11-17-15(19)8-5-9-18(22(3,20)21)14-7-4-6-13(16)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyOELLWDODPGJHEN-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.66
Rot. Bonds8

About 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide

4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide (PubChem CID 53285441) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
PubChem CID53285441
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-12(2)11-17-15(19)8-5-9-18(22(3,20)21)14-7-4-6-13(16)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyOELLWDODPGJHEN-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
N-(2-tert-butylsulfanylethyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide
CID 53285469
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
(2R)-2-[4-(3-chloro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514460
N-[(4-bromophenyl)methyl]-4-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 100735811
4-(3-chloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190834
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
4-(3-chloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 133163003
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
N-(3-methylbutyl)-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 9172781
3-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113143785

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide (CID 53285441) is 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
The InChIKey is OELLWDODPGJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-12(2)11-17-15(19)8-5-9-18(22(3,20)21)14-7-4-6-13(16)10-14/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide?
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide has a molecular weight of 346.88 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 53285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).