6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C24H22N2O4S — CID 155233897

IUPAC6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCHBUGVLFZKNKNK-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.67
Rot. Bonds6

About 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155233897) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155233897
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27)
InChIKeyCHBUGVLFZKNKNK-UHFFFAOYSA-N
XLogP4.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({4'-[(1-Benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-YL}sulfonyl)-L-valine
CID 6852146
Biphenylsulfonamide carboxylate, 20
CID 24901485
N-(4-[(4'-Difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-2-methyl-benzenesulphonamide
CID 18444619
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 4832877
4-(dipropylsulfamoyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2902097
(S)-3-methyl-2-(4''-(3-methyl-4-(methylamino)benzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)butanoic acid
CID 11168614
(S)-3-Methyl-2-{4''-[(3-phenyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 11169065
(S)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-4-methyl-pentanoic acid
CID 11179683
(S)-3-methyl-2-{4'-[(3-methyl-4-morpholin-4-yl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 11192618
(S)-2-(4''-(4-amino-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11226189
(S)-2-(4''-(4-(dimethylamino)-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11284255
N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)glycine
CID 11419551

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155233897) is 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1.
What is the InChIKey of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is CHBUGVLFZKNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-26(2)19-14-13-18-15-22(30-21(18)16-19)24(27)25-31(28,29)23-12-8-7-11-20(23)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,25,27).
What are the key properties of 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).