N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C16H24N2O4S — CID 846470

IUPACN-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyHYEGTISKPSZHSW-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 846470) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID846470
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyHYEGTISKPSZHSW-UHFFFAOYSA-N
XLogP1.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998717
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 22193763
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 154808130
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-cyclohexyl-2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132623615
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentylbutanamide
CID 125057452
N-cyclohexyl-2-[[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132625902
(2R)-2-[(4-bromophenyl)methyl-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentylpropanamide
CID 125093280

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 846470) is N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is HYEGTISKPSZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-15-11-7-6-10-14(15)18(23(2,20)21)12-16(19)17-13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 846470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).