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

C19H26N2O5S2 — CID 24980411

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C19H26N2O5S2/c1-4-25-16-9-8-15(13-17(16)26-5-2)10-11-20-18(22)14-21(3)28(23,24)19-7-6-12-27-19/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,20,22)
InChIKeyWPKLVHLUNBVPME-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.52
Rot. Bonds11

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 24980411) has the molecular formula C19H26N2O5S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID24980411
Molecular FormulaC19H26N2O5S2
Molecular Weight426.56 g/mol
Exact Mass426.13
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C19H26N2O5S2/c1-4-25-16-9-8-15(13-17(16)26-5-2)10-11-20-18(22)14-21(3)28(23,24)19-7-6-12-27-19/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,20,22)
InChIKeyWPKLVHLUNBVPME-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.52
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-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 24980411) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is WPKLVHLUNBVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S2/c1-4-25-16-9-8-15(13-17(16)26-5-2)10-11-20-18(22)14-21(3)28(23,24)19-7-6-12-27-19/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.52, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 24980411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).