3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide

C18H30N2O3S — CID 32648511

IUPAC3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(C)c1C
InChIInChI=1S/C18H30N2O3S/c1-12(2)8-7-9-14(4)20-18(21)16-10-13(3)15(5)17(11-16)24(22,23)19-6/h10-12,14,19H,7-9H2,1-6H3,(H,20,21)/t14-/m0/s1
InChIKeyKUQYQLBRPSMWRB-AWEZNQCLSA-N
MW354.52 g/mol
LogP3.16
Rot. Bonds8

About 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide

3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide (PubChem CID 32648511) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
PubChem CID32648511
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(C)c1C
InChIInChI=1S/C18H30N2O3S/c1-12(2)8-7-9-14(4)20-18(21)16-10-13(3)15(5)17(11-16)24(22,23)19-6/h10-12,14,19H,7-9H2,1-6H3,(H,20,21)/t14-/m0/s1
InChIKeyKUQYQLBRPSMWRB-AWEZNQCLSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 27648157
3,4-dimethyl-N-(2-methylpropyl)-5-(methylsulfamoyl)benzamide
CID 27539196
N-(2-hydroxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 78856270
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
3,4-dimethyl-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744953
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
N-[1-(1-adamantyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46560476
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 56581124
N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27680670

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide (CID 32648511) is 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide?
The InChIKey is KUQYQLBRPSMWRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-12(2)8-7-9-14(4)20-18(21)16-10-13(3)15(5)17(11-16)24(22,23)19-6/h10-12,14,19H,7-9H2,1-6H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide?
3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide has a molecular weight of 354.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2S)-6-methylheptan-2-yl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 32648511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).