N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide

C17H24FNOS — CID 107032474

IUPACN-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
SMILESCC(C)CCN(C(=O)c1cc(S)ccc1F)C1CCCC1
InChIInChI=1S/C17H24FNOS/c1-12(2)9-10-19(13-5-3-4-6-13)17(20)15-11-14(21)7-8-16(15)18/h7-8,11-13,21H,3-6,9-10H2,1-2H3
InChIKeyCAYNZCIADHBNMK-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.55
Rot. Bonds5

About N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide

N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide (PubChem CID 107032474) has the molecular formula C17H24FNOS and a molecular weight of 309.45 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
PubChem CID107032474
Molecular FormulaC17H24FNOS
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC NameN-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
SMILESCC(C)CCN(C(=O)c1cc(S)ccc1F)C1CCCC1
InChIInChI=1S/C17H24FNOS/c1-12(2)9-10-19(13-5-3-4-6-13)17(20)15-11-14(21)7-8-16(15)18/h7-8,11-13,21H,3-6,9-10H2,1-2H3
InChIKeyCAYNZCIADHBNMK-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide 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

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107032471
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide (CID 107032474) is N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide is CC(C)CCN(C(=O)c1cc(S)ccc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide?
The InChIKey is CAYNZCIADHBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNOS/c1-12(2)9-10-19(13-5-3-4-6-13)17(20)15-11-14(21)7-8-16(15)18/h7-8,11-13,21H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide?
N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide has a molecular weight of 309.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107032474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).