N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

C16H26FN3O3S — CID 119657344

IUPACN-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O3S/c1-12(2)15(18)9-11-20(3)16(21)8-10-19-24(22,23)14-6-4-13(17)5-7-14/h4-7,12,15,19H,8-11,18H2,1-3H3
InChIKeyQEKTXQRVJHBKBQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.33
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide

N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 119657344) has the molecular formula C16H26FN3O3S and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID119657344
Molecular FormulaC16H26FN3O3S
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC NameN-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H26FN3O3S/c1-12(2)15(18)9-11-20(3)16(21)8-10-19-24(22,23)14-6-4-13(17)5-7-14/h4-7,12,15,19H,8-11,18H2,1-3H3
InChIKeyQEKTXQRVJHBKBQ-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide 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-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-4-oxobutanamide
CID 119659917
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 51177409
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
CID 119657782
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide (CID 119657344) is N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is CC(C)C(N)CCN(C)C(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is QEKTXQRVJHBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O3S/c1-12(2)15(18)9-11-20(3)16(21)8-10-19-24(22,23)14-6-4-13(17)5-7-14/h4-7,12,15,19H,8-11,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 359.47 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 119657344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).