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

C28H24N2O4S — CID 1105995

IUPAC5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)c(C)c1
InChIInChI=1S/C28H24N2O4S/c1-17-13-14-25(18(2)15-17)35(32,33)30-24-16-23-26(28(31)29-20-9-5-4-6-10-20)19(3)34-27(23)22-12-8-7-11-21(22)24/h4-16,30H,1-3H3,(H,29,31)
InChIKeyWNWBHCMQSHVVHS-UHFFFAOYSA-N
MW484.58 g/mol
LogP6.56
Rot. Bonds5

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

5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide (PubChem CID 1105995) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
PubChem CID1105995
Molecular FormulaC28H24N2O4S
Molecular Weight484.58 g/mol
Exact Mass484.15
IUPAC Name5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)c(C)c1
InChIInChI=1S/C28H24N2O4S/c1-17-13-14-25(18(2)15-17)35(32,33)30-24-16-23-26(28(31)29-20-9-5-4-6-10-20)19(3)34-27(23)22-12-8-7-11-21(22)24/h4-16,30H,1-3H3,(H,29,31)
InChIKeyWNWBHCMQSHVVHS-UHFFFAOYSA-N
XLogP6.56
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 56.56
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
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
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
2-methyl-N-phenyl-5-(tosylamino)benzo[g]benzofuran-3-carboxamide
CID 2337760
Benzyl 5-{[(2,4-dimethylphenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylate
CID 2486038
Methyl 5-[(mesitylsulfonyl)amino]-2-methylnaphtho[1,2-b]furan-3-carboxylate
CID 2486142

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide (CID 1105995) is 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
The InChIKey is WNWBHCMQSHVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S/c1-17-13-14-25(18(2)15-17)35(32,33)30-24-16-23-26(28(31)29-20-9-5-4-6-10-20)19(3)34-27(23)22-12-8-7-11-21(22)24/h4-16,30H,1-3H3,(H,29,31).
What are the key properties of 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide?
5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 6.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)sulfonylamino]-2-methyl-N-phenylbenzo[g][1]benzofuran-3-carboxamide is sourced from PubChem (CID 1105995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).