N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide

C15H20ClNOS — CID 79206780

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N(CCCl)C1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-10-11-17(13-6-4-5-7-13)15(18)12-19-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKeyWGBSQXZMEKUSLM-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.79
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide

N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide (PubChem CID 79206780) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
PubChem CID79206780
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N(CCCl)C1CCCC1
InChIInChI=1S/C15H20ClNOS/c16-10-11-17(13-6-4-5-7-13)15(18)12-19-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKeyWGBSQXZMEKUSLM-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(2-chloroethyl)-N-cyclobutyl-2-phenoxyacetamide
CID 102872589
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
2-[cyclohexyl-(2-phenylsulfanylacetyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 4229536
N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide (CID 79206780) is N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide?
The InChIKey is WGBSQXZMEKUSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-10-11-17(13-6-4-5-7-13)15(18)12-19-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide?
N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide has a molecular weight of 297.85 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 79206780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).