N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C18H28N2O3S — CID 113151851

IUPACN-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)20(14-13-16-9-5-4-6-10-16)15-18(21)19-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,19,21)
InChIKeyPTCTZXKWBSHBNG-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.33
Rot. Bonds7

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

N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 113151851) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID113151851
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-24(22,23)20(14-13-16-9-5-4-6-10-16)15-18(21)19-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,19,21)
InChIKeyPTCTZXKWBSHBNG-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 113151851) is N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is PTCTZXKWBSHBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(22,23)20(14-13-16-9-5-4-6-10-16)15-18(21)19-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 113151851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).