N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C16H24N2O3S — CID 113150806

IUPACN-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(14-8-4-3-5-9-14)18(22(2,20)21)12-16(19)17-15-10-6-7-11-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19)
InChIKeyIGHJJPAEBLNRFV-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.07
Rot. Bonds6

About N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150806) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150806
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-13(14-8-4-3-5-9-14)18(22(2,20)21)12-16(19)17-15-10-6-7-11-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19)
InChIKeyIGHJJPAEBLNRFV-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150806) is N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is CC(c1ccccc1)N(CC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is IGHJJPAEBLNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13(14-8-4-3-5-9-14)18(22(2,20)21)12-16(19)17-15-10-6-7-11-15/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).