2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide

C14H18ClNO3S — CID 110357237

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)9-8-16-14(17)13(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyGZJAYQHMNKQTLB-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide

2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide (PubChem CID 110357237) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
PubChem CID110357237
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)9-8-16-14(17)13(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyGZJAYQHMNKQTLB-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide
CID 110617278
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110301101
2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 110306520
2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110309152
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]-3-methylsulfonylpropanamide
CID 110611742
2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 110309383
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-(4-chlorophenyl)-2-cyclopropyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110305204
2-(4-chlorophenyl)-2-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616721
[(4-chlorophenyl)-cyclopropylmethyl] methanesulfonate
CID 102620658

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide (CID 110357237) is 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is GZJAYQHMNKQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-20(18,19)9-8-16-14(17)13(10-2-3-10)11-4-6-12(15)7-5-11/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide?
2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 315.82 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 110357237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).