N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C17H29N3O3S — CID 119641846

IUPACN-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-6-17(18,7-2)12-19-16(21)14-9-8-10-15(11-14)24(22,23)20(5)13(3)4/h8-11,13H,6-7,12,18H2,1-5H3,(H,19,21)
InChIKeyVOMYKGMRIPXPCT-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.96
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 119641846) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID119641846
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-6-17(18,7-2)12-19-16(21)14-9-8-10-15(11-14)24(22,23)20(5)13(3)4/h8-11,13H,6-7,12,18H2,1-5H3,(H,19,21)
InChIKeyVOMYKGMRIPXPCT-UHFFFAOYSA-N
XLogP1.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
CID 26878123
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
N-(2-amino-2-ethylbutyl)-3-[(3-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119640175
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119574152

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 119641846) is N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CCC(N)(CC)CNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is VOMYKGMRIPXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-6-17(18,7-2)12-19-16(21)14-9-8-10-15(11-14)24(22,23)20(5)13(3)4/h8-11,13H,6-7,12,18H2,1-5H3,(H,19,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 355.50 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 119641846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).