N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide

C15H24N2O3S — CID 75981195

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-6-7-12(3)15(18)16-14-10-13(9-8-11(14)2)21(19,20)17(4)5/h8-10,12H,6-7H2,1-5H3,(H,16,18)
InChIKeyQKMQBDCUVWPVAF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.62
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide (PubChem CID 75981195) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
PubChem CID75981195
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C15H24N2O3S/c1-6-7-12(3)15(18)16-14-10-13(9-8-11(14)2)21(19,20)17(4)5/h8-10,12H,6-7H2,1-5H3,(H,16,18)
InChIKeyQKMQBDCUVWPVAF-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
(2R)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpentanamide
CID 8838802
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-octan-2-ylthiourea
CID 3255634
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 167781077
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9389955
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide (CID 75981195) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide?
The InChIKey is QKMQBDCUVWPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-7-12(3)15(18)16-14-10-13(9-8-11(14)2)21(19,20)17(4)5/h8-10,12H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide has a molecular weight of 312.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide is sourced from PubChem (CID 75981195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).