N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C17H22N2O5S2 — CID 3239350

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-19(26(21,22)17-5-4-10-25-17)12-16(20)18-9-8-13-6-7-14(23-2)15(11-13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20)
InChIKeyKRJCWUXYJDIERA-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.74
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 3239350) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID3239350
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C17H22N2O5S2/c1-19(26(21,22)17-5-4-10-25-17)12-16(20)18-9-8-13-6-7-14(23-2)15(11-13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20)
InChIKeyKRJCWUXYJDIERA-UHFFFAOYSA-N
XLogP1.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 3239350) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is KRJCWUXYJDIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-19(26(21,22)17-5-4-10-25-17)12-16(20)18-9-8-13-6-7-14(23-2)15(11-13)24-3/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 3239350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).