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

C17H22N2O5S2 — CID 4820945

IUPACN-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C17H22N2O5S2/c1-4-23-14-9-8-13(11-15(14)24-5-2)18-16(20)12-19(3)26(21,22)17-7-6-10-25-17/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyLTAHMCJKFSUJIL-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.80
Rot. Bonds9

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

N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4820945) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4820945
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC
InChIInChI=1S/C17H22N2O5S2/c1-4-23-14-9-8-13(11-15(14)24-5-2)18-16(20)12-19(3)26(21,22)17-7-6-10-25-17/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyLTAHMCJKFSUJIL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(3,4-diethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonyl-methylamino]acetamide
CID 46534955
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978
N-(3,4-diethoxyphenyl)-2-[3,4-dihydronaphthalen-2-ylsulfonyl(methyl)amino]acetamide
CID 46807825
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765
N-(3,4-diethoxyphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetamide
CID 29375272
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
CID 55461123
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4820945) is N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is LTAHMCJKFSUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-4-23-14-9-8-13(11-15(14)24-5-2)18-16(20)12-19(3)26(21,22)17-7-6-10-25-17/h6-11H,4-5,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4820945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).