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

C22H18N2O4S — CID 155233983

IUPAC6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCNc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C22H18N2O4S/c1-23-17-12-11-16-13-20(28-19(16)14-17)22(25)24-29(26,27)21-10-6-5-9-18(21)15-7-3-2-4-8-15/h2-14,23H,1H3,(H,24,25)
InChIKeyXAVVASHFBMVIMQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.26
Rot. Bonds5

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

6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155233983) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155233983
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCNc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1
InChIInChI=1S/C22H18N2O4S/c1-23-17-12-11-16-13-20(28-19(16)14-17)22(25)24-29(26,27)21-10-6-5-9-18(21)15-7-3-2-4-8-15/h2-14,23H,1H3,(H,24,25)
InChIKeyXAVVASHFBMVIMQ-UHFFFAOYSA-N
XLogP4.26
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
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
dibenzofuran (DBF) scaffold, (R)-9
CID 25065318
dibenzofuran (DBF) scaffold, (R)-12
CID 25263233
dibenzofuran (DBF) scaffold, (S)-27
CID 25263241
N-(4-[(4'-Difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-2-methyl-benzenesulphonamide
CID 18444619
(S)-2-{4''-[(5-Acetylamino-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 44397568
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)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-succinamic acid
CID 11168103
(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

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155233983) is 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is CNc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3-c3ccccc3)oc2c1.
What is the InChIKey of 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is XAVVASHFBMVIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-23-17-12-11-16-13-20(28-19(16)14-17)22(25)24-29(26,27)21-10-6-5-9-18(21)15-7-3-2-4-8-15/h2-14,23H,1H3,(H,24,25).
What are the key properties of 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155233983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).