(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide

C16H22N2O5S — CID 94190804

IUPAC(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@H](NC(C)=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-24(21,22)14-9-7-13(23-2)8-10-14/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyDPAACEWQLTVLQF-OAHLLOKOSA-N
MW354.43 g/mol
LogP1.20
Rot. Bonds6

About (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide

(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 94190804) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
PubChem CID94190804
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@H](NC(C)=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-24(21,22)14-9-7-13(23-2)8-10-14/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyDPAACEWQLTVLQF-OAHLLOKOSA-N
XLogP1.20
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-acetamido-2-cyclopentyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186604
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
methyl (2S)-2-[(2-acetamido-2-cyclopentylacetyl)amino]propanoate
CID 87040294
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
CID 47126836
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927675
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 108736372
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide (CID 94190804) is (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)NC(=O)[C@H](NC(C)=O)C2CCCC2)cc1.
What is the InChIKey of (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is DPAACEWQLTVLQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11(19)17-15(12-5-3-4-6-12)16(20)18-24(21,22)14-9-7-13(23-2)8-10-14/h7-10,12,15H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide?
(2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 354.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclopentyl-N-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 94190804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).