6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C23H20N2O4S — CID 155244935

IUPAC6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26)
InChIKeyZUWIDJYXRPTMQW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.28
Rot. Bonds5

About 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155244935) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155244935
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26)
InChIKeyZUWIDJYXRPTMQW-UHFFFAOYSA-N
XLogP4.28
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.28
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
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)-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
(S)-3-methyl-2-(4''-(3-methyl-4-(methylsulfonamido)benzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)butanoic acid
CID 11467517
(S)-2-(4''-(4-acetamido-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid
CID 11753351

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155244935) is 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CN(C)c1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1.
What is the InChIKey of 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is ZUWIDJYXRPTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26).
What are the key properties of 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).