N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C22H22N2O4S2 — CID 46246296

IUPACN-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-2-16-6-3-4-7-19(16)24-22(26)17-9-11-18(12-10-17)23-20(25)13-15-30(27,28)21-8-5-14-29-21/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyAKIQZKWNORFJJN-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.37
Rot. Bonds8

About N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 46246296) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID46246296
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-2-16-6-3-4-7-19(16)24-22(26)17-9-11-18(12-10-17)23-20(25)13-15-30(27,28)21-8-5-14-29-21/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyAKIQZKWNORFJJN-UHFFFAOYSA-N
XLogP4.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[4-(3-thiophen-2-ylsulfonylpropanoylamino)benzoyl]amino]benzoate
CID 46246295
4-(3-thiophen-2-ylsulfonylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 46246301
N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427359
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427360
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 46246296) is N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is CCc1ccccc1NC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is AKIQZKWNORFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-2-16-6-3-4-7-19(16)24-22(26)17-9-11-18(12-10-17)23-20(25)13-15-30(27,28)21-8-5-14-29-21/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 46246296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).