N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide

C15H24N2O3S — CID 42951938

IUPACN-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-12(3)17(5)15(18)13-7-6-8-14(10-13)21(19,20)16-4/h6-8,10-12,16H,9H2,1-5H3
InChIKeyNRXZESGNSFPQJO-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.10
Rot. Bonds6

About N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide

N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide (PubChem CID 42951938) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
PubChem CID42951938
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-12(3)17(5)15(18)13-7-6-8-14(10-13)21(19,20)16-4/h6-8,10-12,16H,9H2,1-5H3
InChIKeyNRXZESGNSFPQJO-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62592093
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 55591194
N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 26998920
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 56523456
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide (CID 42951938) is N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N(C)C(C)CC(C)C)c1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide?
The InChIKey is NRXZESGNSFPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)9-12(3)17(5)15(18)13-7-6-8-14(10-13)21(19,20)16-4/h6-8,10-12,16H,9H2,1-5H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide?
N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide has a molecular weight of 312.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 42951938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).