N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide

C14H18ClNOS — CID 106127010

IUPACN-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C14H18ClNOS/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyXEZCWEDGPSYCNO-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.55
Rot. Bonds4

About N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide

N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 106127010) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
PubChem CID106127010
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC1CCC(Cl)C1
InChIInChI=1S/C14H18ClNOS/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyXEZCWEDGPSYCNO-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide 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-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279883
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 114147037
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide (CID 106127010) is N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is XEZCWEDGPSYCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-18-13-5-3-2-4-12(13)14(17)16-9-10-6-7-11(15)8-10/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide?
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 283.82 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 106127010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).