2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H27ClN2O4S — CID 92647652

IUPAC2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C20H27ClN2O4S/c21-17-8-9-18(19(14-17)28(25,26)23-12-4-5-13-23)27-15-20(24)22-11-10-16-6-2-1-3-7-16/h6,8-9,14H,1-5,7,10-13,15H2,(H,22,24)
InChIKeyLIULMLMPUSCGKM-UHFFFAOYSA-N
MW426.97 g/mol
LogP3.51
Rot. Bonds8

About 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 92647652) has the molecular formula C20H27ClN2O4S and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID92647652
Molecular FormulaC20H27ClN2O4S
Molecular Weight426.97 g/mol
Exact Mass426.14
IUPAC Name2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C20H27ClN2O4S/c21-17-8-9-18(19(14-17)28(25,26)23-12-4-5-13-23)27-15-20(24)22-11-10-16-6-2-1-3-7-16/h6,8-9,14H,1-5,7,10-13,15H2,(H,22,24)
InChIKeyLIULMLMPUSCGKM-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]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-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 92647820
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 30167908
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 17027739
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-(4-butylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647774
4-[[2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
CID 92647737
N-(3-chloro-2-methylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647698

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 92647652) is 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is LIULMLMPUSCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4S/c21-17-8-9-18(19(14-17)28(25,26)23-12-4-5-13-23)27-15-20(24)22-11-10-16-6-2-1-3-7-16/h6,8-9,14H,1-5,7,10-13,15H2,(H,22,24).
What are the key properties of 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 426.97 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 92647652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).