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

C17H22ClNO3S2 — CID 55390046

IUPAC2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22ClNO3S2/c18-13-5-7-16(8-6-13)23-11-17(20)19(14-3-1-2-4-14)15-9-10-24(21,22)12-15/h5-8,14-15H,1-4,9-12H2
InChIKeyPXCWPPGWWQVJFH-UHFFFAOYSA-N
MW387.95 g/mol
LogP3.39
Rot. Bonds5

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

2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 55390046) has the molecular formula C17H22ClNO3S2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID55390046
Molecular FormulaC17H22ClNO3S2
Molecular Weight387.95 g/mol
Exact Mass387.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22ClNO3S2/c18-13-5-7-16(8-6-13)23-11-17(20)19(14-3-1-2-4-14)15-9-10-24(21,22)12-15/h5-8,14-15H,1-4,9-12H2
InChIKeyPXCWPPGWWQVJFH-UHFFFAOYSA-N
XLogP3.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.95
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide 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-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41082668
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41082670
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8986686
N-cyclohexyl-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 98416853
N-cyclohexyl-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 98416852
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40815048
N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785152
2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32889749
2-(4-aminophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 43299072
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8564551
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 75426289

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 55390046) is 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CSc1ccc(Cl)cc1)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is PXCWPPGWWQVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S2/c18-13-5-7-16(8-6-13)23-11-17(20)19(14-3-1-2-4-14)15-9-10-24(21,22)12-15/h5-8,14-15H,1-4,9-12H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 387.95 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 55390046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).