2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide

C12H18N2O3S — CID 51331861

IUPAC2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-4-8(2)12(15)14-10-6-5-9(3)11(7-10)18(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyNRQOHRIUQMXDFI-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide

2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide (PubChem CID 51331861) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
PubChem CID51331861
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
SMILESCCC(C)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-4-8(2)12(15)14-10-6-5-9(3)11(7-10)18(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyNRQOHRIUQMXDFI-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
N-(4-methyl-3-sulfamoylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 55363773
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
CID 119307334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide?
The IUPAC name of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide (CID 51331861) is 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide is CCC(C)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide?
The InChIKey is NRQOHRIUQMXDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-8(2)12(15)14-10-6-5-9(3)11(7-10)18(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide?
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 51331861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).