N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide

C16H25NO5S — CID 113096008

IUPACN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1cc(OC)c(OC)c(OC)c1)C1CC1
InChIInChI=1S/C16H25NO5S/c1-5-23(18,19)17(13-6-7-13)9-8-12-10-14(20-2)16(22-4)15(11-12)21-3/h10-11,13H,5-9H2,1-4H3
InChIKeyDBHJSUGYIGRVDI-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.07
Rot. Bonds9

About N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide

N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 113096008) has the molecular formula C16H25NO5S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
PubChem CID113096008
Molecular FormulaC16H25NO5S
Molecular Weight343.45 g/mol
Exact Mass343.15
IUPAC NameN-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1cc(OC)c(OC)c(OC)c1)C1CC1
InChIInChI=1S/C16H25NO5S/c1-5-23(18,19)17(13-6-7-13)9-8-12-10-14(20-2)16(22-4)15(11-12)21-3/h10-11,13H,5-9H2,1-4H3
InChIKeyDBHJSUGYIGRVDI-UHFFFAOYSA-N
XLogP2.07
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]hexadecane-1-sulfonamide
CID 121392292
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095973
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
CID 56915066
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide (CID 113096008) is N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N(CCc1cc(OC)c(OC)c(OC)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is DBHJSUGYIGRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S/c1-5-23(18,19)17(13-6-7-13)9-8-12-10-14(20-2)16(22-4)15(11-12)21-3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide?
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 113096008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).