4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide

C18H21NO4S — CID 91309670

IUPAC4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-23-16-8-5-7-15(13-16)14-19-18(20)11-6-12-24(21,22)17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20)
InChIKeyHHLIWLNEYIXPCL-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.57
Rot. Bonds8

About 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide

4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide (PubChem CID 91309670) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
PubChem CID91309670
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
SMILESCOc1cccc(CNC(=O)CCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-23-16-8-5-7-15(13-16)14-19-18(20)11-6-12-24(21,22)17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20)
InChIKeyHHLIWLNEYIXPCL-UHFFFAOYSA-N
XLogP2.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]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

3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 25162879
1-[2-(benzenesulfonyl)ethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249126
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 23603100
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide (CID 91309670) is 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide is COc1cccc(CNC(=O)CCCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide?
The InChIKey is HHLIWLNEYIXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-16-8-5-7-15(13-16)14-19-18(20)11-6-12-24(21,22)17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,19,20).
What are the key properties of 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide?
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide has a molecular weight of 347.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 91309670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).