4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide

C20H26N2O4S — CID 9246232

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-10-11-18(13-16(15)2)27(24,25)22-12-6-9-20(23)21-14-17-7-4-5-8-19(17)26-3/h4-5,7-8,10-11,13,22H,6,9,12,14H2,1-3H3,(H,21,23)
InChIKeyOTFFMGHRMXNSQI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.69
Rot. Bonds9

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 9246232) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID9246232
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O4S/c1-15-10-11-18(13-16(15)2)27(24,25)22-12-6-9-20(23)21-14-17-7-4-5-8-19(17)26-3/h4-5,7-8,10-11,13,22H,6,9,12,14H2,1-3H3,(H,21,23)
InChIKeyOTFFMGHRMXNSQI-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.69
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-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2,3-dimethoxyphenyl)methyl]hexanamide
CID 55582418
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide (CID 9246232) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide is COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is OTFFMGHRMXNSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-10-11-18(13-16(15)2)27(24,25)22-12-6-9-20(23)21-14-17-7-4-5-8-19(17)26-3/h4-5,7-8,10-11,13,22H,6,9,12,14H2,1-3H3,(H,21,23).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 390.51 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 9246232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).