N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide

C16H25N3O3S — CID 119568702

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C16H25N3O3S/c1-4-10-18-23(21,22)14-9-7-8-13(11-14)15(20)19-16(5-2,6-3)12-17/h4,7-9,11,18H,1,5-6,10,12,17H2,2-3H3,(H,19,20)
InChIKeyNHGBWNUELQIZEM-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.40
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide

N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 119568702) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID119568702
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C16H25N3O3S/c1-4-10-18-23(21,22)14-9-7-8-13(11-14)15(20)19-16(5-2,6-3)12-17/h4,7-9,11,18H,1,5-6,10,12,17H2,2-3H3,(H,19,20)
InChIKeyNHGBWNUELQIZEM-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide (CID 119568702) is N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC(CC)(CC)CN)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is NHGBWNUELQIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-10-18-23(21,22)14-9-7-8-13(11-14)15(20)19-16(5-2,6-3)12-17/h4,7-9,11,18H,1,5-6,10,12,17H2,2-3H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 119568702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).