4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide

C15H21ClN2O4S — CID 53280919

IUPAC4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
SMILESCOc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-8-7-12(10-13(14)16)18(23(2,20)21)9-3-4-15(19)17-11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyJJNQKTHFRQQSCT-UHFFFAOYSA-N
MW360.86 g/mol
LogP2.17
Rot. Bonds8

About 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide

4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide (PubChem CID 53280919) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
PubChem CID53280919
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
SMILESCOc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-22-14-8-7-12(10-13(14)16)18(23(2,20)21)9-3-4-15(19)17-11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyJJNQKTHFRQQSCT-UHFFFAOYSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide 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

3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
N-benzyl-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]butanamide
CID 132629346
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-cyclopropylbutanamide
CID 53282255
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 132632220
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 132634512
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53280942
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-cyclopentylbutanamide
CID 132631682
(2S)-2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100579899
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]butanamide
CID 125061808

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide (CID 53280919) is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide is COc1ccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide?
The InChIKey is JJNQKTHFRQQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-22-14-8-7-12(10-13(14)16)18(23(2,20)21)9-3-4-15(19)17-11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide?
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide has a molecular weight of 360.86 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide is sourced from PubChem (CID 53280919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).