2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C18H24ClNO3S — CID 110411899

IUPAC2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(Cl)cc1)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24ClNO3S/c1-20(16-10-11-24(22,23)12-16)18(21)17(13-4-2-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyRHTJGASEZHHVNU-UHFFFAOYSA-N
MW369.91 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 110411899) has the molecular formula C18H24ClNO3S and a molecular weight of 369.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID110411899
Molecular FormulaC18H24ClNO3S
Molecular Weight369.91 g/mol
Exact Mass369.12
IUPAC Name2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCN(C(=O)C(c1ccc(Cl)cc1)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24ClNO3S/c1-20(16-10-11-24(22,23)12-16)18(21)17(13-4-2-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3
InChIKeyRHTJGASEZHHVNU-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide 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-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110355714
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 110296645
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 38831458
2-amino-N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666510
(E)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylprop-2-enamide
CID 6594755
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
3-[2-(4-chlorophenoxy)ethyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 95152617
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9442785
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 110411899) is 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CN(C(=O)C(c1ccc(Cl)cc1)C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is RHTJGASEZHHVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3S/c1-20(16-10-11-24(22,23)12-16)18(21)17(13-4-2-3-5-13)14-6-8-15(19)9-7-14/h6-9,13,16-17H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 369.91 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 110411899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).