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

C16H24N2O5S — CID 113152518

IUPACN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-22-14-7-4-12(10-15(14)23-2)8-9-18(24(3,20)21)11-16(19)17-13-5-6-13/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,17,19)
InChIKeyHNYSBGUEJJECKE-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.79
Rot. Bonds9

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

N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152518) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152518
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(CCN(CC(=O)NC2CC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-22-14-7-4-12(10-15(14)23-2)8-9-18(24(3,20)21)11-16(19)17-13-5-6-13/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,17,19)
InChIKeyHNYSBGUEJJECKE-UHFFFAOYSA-N
XLogP0.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113152535
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152518) is N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1ccc(CCN(CC(=O)NC2CC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is HNYSBGUEJJECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-14-7-4-12(10-15(14)23-2)8-9-18(24(3,20)21)11-16(19)17-13-5-6-13/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 356.44 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).