2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide

C27H22N2O4S — CID 2337760

IUPAC2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)cc1
InChIInChI=1S/C27H22N2O4S/c1-17-12-14-20(15-13-17)34(31,32)29-24-16-23-25(27(30)28-19-8-4-3-5-9-19)18(2)33-26(23)22-11-7-6-10-21(22)24/h3-16,29H,1-2H3,(H,28,30)
InChIKeyIETKQVDKLVANEI-UHFFFAOYSA-N
MW470.55 g/mol
LogP6.26
Rot. Bonds5

About 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide

2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide (PubChem CID 2337760) has the molecular formula C27H22N2O4S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide
PubChem CID2337760
Molecular FormulaC27H22N2O4S
Molecular Weight470.55 g/mol
Exact Mass470.13
IUPAC Name2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)cc1
InChIInChI=1S/C27H22N2O4S/c1-17-12-14-20(15-13-17)34(31,32)29-24-16-23-25(27(30)28-19-8-4-3-5-9-19)18(2)33-26(23)22-11-7-6-10-21(22)24/h3-16,29H,1-2H3,(H,28,30)
InChIKeyIETKQVDKLVANEI-UHFFFAOYSA-N
XLogP6.26
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-keto-N-(7-keto-9,10-dihydro-8H-naphtho[1,2-b]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 2325417
Benzyl 2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 2486113
Propyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-B]furan-3-carboxylate
CID 15991192
N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 992465
Ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 992505
N-(3-Acetyl-2-methyl-naphtho[1,2-b]furan-5-yl)-4-tert-butyl-benzenesulfonamide
CID 1105988
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-bromobenzenesulfonamide
CID 1105991
ethyl 2-phenyl-5-(N-tosylacetamido)benzofuran-3-carboxylate
CID 1110204
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-methoxybenzenesulfonamide
CID 1183863
N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1332299
Isopropyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 1367393
Methyl 2-methyl-5-[(4-methylbenzoyl)(phenylsulfonyl)amino]-1-benzofuran-3-carboxylate
CID 1725451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide (CID 2337760) is 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The InChIKey is IETKQVDKLVANEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4S/c1-17-12-14-20(15-13-17)34(31,32)29-24-16-23-25(27(30)28-19-8-4-3-5-9-19)18(2)33-26(23)22-11-7-6-10-21(22)24/h3-16,29H,1-2H3,(H,28,30).
What are the key properties of 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzo[g][1]benzofuran-3-carboxamide is sourced from PubChem (CID 2337760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).