5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide

C26H24N2O4S — CID 18444629

IUPAC5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C26H24N2O4S/c1-18-8-6-7-11-25(18)33(30,31)28-26(29)24-16-22(19(2)32-24)17-27-23-14-12-21(13-15-23)20-9-4-3-5-10-20/h3-16,27H,17H2,1-2H3,(H,28,29)
InChIKeyGLYKBHQVUNUAIO-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.29
Rot. Bonds7

About 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide

5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide (PubChem CID 18444629) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
PubChem CID18444629
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccccc3)cc2)c(C)o1
InChIInChI=1S/C26H24N2O4S/c1-18-8-6-7-11-25(18)33(30,31)28-26(29)24-16-22(19(2)32-24)17-27-23-14-12-21(13-15-23)20-9-4-3-5-10-20/h3-16,27H,17H2,1-2H3,(H,28,29)
InChIKeyGLYKBHQVUNUAIO-UHFFFAOYSA-N
XLogP5.29
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.29
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
N-(4-[(4'-Difluoromethoxy-biphenyl-4-ylamino)-methyl]-5-methyl-furan-2-carbonyl)-2-methyl-benzenesulphonamide
CID 18444619
(S)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-succinamic acid
CID 11168103
(S)-2-{4''-[(Benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-4-methyl-pentanoic acid
CID 11179683
N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-yl}sulfonyl)glycine
CID 11419551
N-[4-(biphenyl-4-ylaminomethyl)-5-methyl-furan-2-carbonyl]-benzenesulphonamide
CID 18444630
(S)-3-Methyl-2-{4''-[(3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 44404484
(S)-2-{4''-[(3-Ethyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 44404490
(R)-3-Methyl-2-{4''-[(3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-butyric acid
CID 44404500
2-[[4-[4-(1-Benzofuran-2-carbonylamino)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59788426
N-([1,1'-Biphenyl]-2-ylsulfonyl)-6-(dimethylamino)-2-benzofurancarboxamide
CID 155244935

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide (CID 18444629) is 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccccc3)cc2)c(C)o1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
The InChIKey is GLYKBHQVUNUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-18-8-6-7-11-25(18)33(30,31)28-26(29)24-16-22(19(2)32-24)17-27-23-14-12-21(13-15-23)20-9-4-3-5-10-20/h3-16,27H,17H2,1-2H3,(H,28,29).
What are the key properties of 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide?
5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)sulfonyl-4-[(4-phenylanilino)methyl]furan-2-carboxamide is sourced from PubChem (CID 18444629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).