2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C17H23NO3S — CID 75870198

IUPAC2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CC1C=CCC1
InChIInChI=1S/C17H23NO3S/c1-13(15-8-10-16(11-9-15)22(3,20)21)18(2)17(19)12-14-6-4-5-7-14/h4,6,8-11,13-14H,5,7,12H2,1-3H3
InChIKeyJGVXCBJPOAEUKO-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.97
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 75870198) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID75870198
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CC1C=CCC1
InChIInChI=1S/C17H23NO3S/c1-13(15-8-10-16(11-9-15)22(3,20)21)18(2)17(19)12-14-6-4-5-7-14/h4,6,8-11,13-14H,5,7,12H2,1-3H3
InChIKeyJGVXCBJPOAEUKO-UHFFFAOYSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 119704976
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61040291
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
3-acetamido-3-(4-bromophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 112813664
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 75870198) is 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is JGVXCBJPOAEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13(15-8-10-16(11-9-15)22(3,20)21)18(2)17(19)12-14-6-4-5-7-14/h4,6,8-11,13-14H,5,7,12H2,1-3H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 321.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 75870198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).