N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide

C18H28N2O5S — CID 113152523

IUPACN-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-24-16-9-8-14(12-17(16)25-2)10-11-20(26(3,22)23)13-18(21)19-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyARZSQAYKRPDZFL-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.57
Rot. Bonds9

About N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152523) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152523
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-24-16-9-8-14(12-17(16)25-2)10-11-20(26(3,22)23)13-18(21)19-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,19,21)
InChIKeyARZSQAYKRPDZFL-UHFFFAOYSA-N
XLogP1.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113152535
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152523) is N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1ccc(CCN(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is ARZSQAYKRPDZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-24-16-9-8-14(12-17(16)25-2)10-11-20(26(3,22)23)13-18(21)19-15-6-4-5-7-15/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 384.50 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).