2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide

C16H26N2O3S — CID 30804825

IUPAC2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CCC(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-11(2)6-8-13(4)18-16(19)15-10-14(9-7-12(15)3)22(20,21)17-5/h7,9-11,13,17H,6,8H2,1-5H3,(H,18,19)/t13-/m1/s1
InChIKeyZSGMONDBTHBVPV-CYBMUJFWSA-N
MW326.46 g/mol
LogP2.46
Rot. Bonds7

About 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide

2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide (PubChem CID 30804825) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
PubChem CID30804825
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CCC(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-11(2)6-8-13(4)18-16(19)15-10-14(9-7-12(15)3)22(20,21)17-5/h7,9-11,13,17H,6,8H2,1-5H3,(H,18,19)/t13-/m1/s1
InChIKeyZSGMONDBTHBVPV-CYBMUJFWSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
2-methyl-N-[1-(2-methylphenyl)ethyl]-5-(methylsulfamoyl)benzamide
CID 43037445
3-methyl-4-(5-methylhexan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 63927112
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
2-(3-methylbutylamino)-5-(methylsulfamoyl)benzoic acid
CID 45319790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide (CID 30804825) is 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)CCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide?
The InChIKey is ZSGMONDBTHBVPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(2)6-8-13(4)18-16(19)15-10-14(9-7-12(15)3)22(20,21)17-5/h7,9-11,13,17H,6,8H2,1-5H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide?
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 30804825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).