2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide

C21H29N3O3S — CID 24616544

IUPAC2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-6-14-24(4)28(26,27)19-12-10-18(11-13-19)22-15-21(25)23-20-9-7-8-16(2)17(20)3/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyFNMICIPIRAJOJK-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.77
Rot. Bonds9

About 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 24616544) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID24616544
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H29N3O3S/c1-5-6-14-24(4)28(26,27)19-12-10-18(11-13-19)22-15-21(25)23-20-9-7-8-16(2)17(20)3/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyFNMICIPIRAJOJK-UHFFFAOYSA-N
XLogP3.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24616609
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
CID 24616559
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
CID 24616557
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide (CID 24616544) is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is FNMICIPIRAJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-5-6-14-24(4)28(26,27)19-12-10-18(11-13-19)22-15-21(25)23-20-9-7-8-16(2)17(20)3/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 403.55 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 24616544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).