N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide

C16H27N3O3S — CID 119656163

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)18-23(21,22)14-8-6-13(7-9-14)15(20)19(5)11-16(3,4)10-17/h6-9,12,18H,10-11,17H2,1-5H3
InChIKeyGLYCMRADLHPXFP-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.43
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 119656163) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID119656163
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)18-23(21,22)14-8-6-13(7-9-14)15(20)19(5)11-16(3,4)10-17/h6-9,12,18H,10-11,17H2,1-5H3
InChIKeyGLYCMRADLHPXFP-UHFFFAOYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119655982
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 119656595
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
CID 119655900
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119653300
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
N-(3-amino-2,2-dimethylpropyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119656646
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide (CID 119656163) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GLYCMRADLHPXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12(2)18-23(21,22)14-8-6-13(7-9-14)15(20)19(5)11-16(3,4)10-17/h6-9,12,18H,10-11,17H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 341.48 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 119656163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).