N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide

C16H25N3O3S — CID 119607469

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-11(2)16(3,10-17)18-15(20)12-4-8-14(9-5-12)23(21,22)19-13-6-7-13/h4-5,8-9,11,13,19H,6-7,10,17H2,1-3H3,(H,18,20)
InChIKeyNYRTXTMYVLKLBY-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.23
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 119607469) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID119607469
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-11(2)16(3,10-17)18-15(20)12-4-8-14(9-5-12)23(21,22)19-13-6-7-13/h4-5,8-9,11,13,19H,6-7,10,17H2,1-3H3,(H,18,20)
InChIKeyNYRTXTMYVLKLBY-UHFFFAOYSA-N
XLogP1.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119607015
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
CID 119605692
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide (CID 119607469) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide is CC(C)C(C)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is NYRTXTMYVLKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)16(3,10-17)18-15(20)12-4-8-14(9-5-12)23(21,22)19-13-6-7-13/h4-5,8-9,11,13,19H,6-7,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 119607469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).