N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C24H26N2O6S2 — CID 22427360

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C24H26N2O6S2/c1-31-20-10-5-17(16-21(20)32-2)11-13-25-24(28)18-6-8-19(9-7-18)26-22(27)12-15-34(29,30)23-4-3-14-33-23/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySFQJNSVXEBQERM-UHFFFAOYSA-N
MW502.61 g/mol
LogP3.54
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 22427360) has the molecular formula C24H26N2O6S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID22427360
Molecular FormulaC24H26N2O6S2
Molecular Weight502.61 g/mol
Exact Mass502.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C24H26N2O6S2/c1-31-20-10-5-17(16-21(20)32-2)11-13-25-24(28)18-6-8-19(9-7-18)26-22(27)12-15-34(29,30)23-4-3-14-33-23/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeySFQJNSVXEBQERM-UHFFFAOYSA-N
XLogP3.54
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 22427360) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is COc1ccc(CCNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is SFQJNSVXEBQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S2/c1-31-20-10-5-17(16-21(20)32-2)11-13-25-24(28)18-6-8-19(9-7-18)26-22(27)12-15-34(29,30)23-4-3-14-33-23/h3-10,14,16H,11-13,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 502.61 g/mol, XLogP of 3.54, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 22427360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).