2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide

C22H31N3O3S — CID 24616609

IUPAC2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-6-15-25(4)29(27,28)19-13-11-18(12-14-19)23-16-22(26)24-21-10-8-7-9-20(21)17(2)3/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyMXIZBKZRQCCCAT-UHFFFAOYSA-N
MW417.58 g/mol
LogP4.28
Rot. Bonds10

About 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 24616609) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID24616609
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C22H31N3O3S/c1-5-6-15-25(4)29(27,28)19-13-11-18(12-14-19)23-16-22(26)24-21-10-8-7-9-20(21)17(2)3/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyMXIZBKZRQCCCAT-UHFFFAOYSA-N
XLogP4.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,3-dimethylphenyl)acetamide
CID 24616544
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2,6-difluorophenyl)acetamide
CID 24616559
N-(4-bromo-2-fluorophenyl)-2-[4-[butyl(methyl)sulfamoyl]anilino]acetamide
CID 24616557
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832376
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 18096563
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7718780
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide (CID 24616609) is 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is MXIZBKZRQCCCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-5-6-15-25(4)29(27,28)19-13-11-18(12-14-19)23-16-22(26)24-21-10-8-7-9-20(21)17(2)3/h7-14,17,23H,5-6,15-16H2,1-4H3,(H,24,26).
What are the key properties of 2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide?
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 417.58 g/mol, XLogP of 4.28, 10 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 24616609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).