2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide

C16H22N2O4S — CID 51272392

IUPAC2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-13-7-9-14(10-8-13)23(2,21)22/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQSPGWXRHDCUTNU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.72
Rot. Bonds5

About 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide

2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 51272392) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
PubChem CID51272392
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-13-7-9-14(10-8-13)23(2,21)22/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQSPGWXRHDCUTNU-UHFFFAOYSA-N
XLogP1.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
2-acetamido-N-(4-methylsulfonylphenyl)-3-sulfanylpropanamide
CID 107769049
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
CID 94190804
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 51272573
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide (CID 51272392) is 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide is CC(=O)NC(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is QSPGWXRHDCUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-13-7-9-14(10-8-13)23(2,21)22/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide?
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 51272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).