N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide

C32H22N2O6 — CID 2958483

IUPACN-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C32H22N2O6/c1-38-28-18-23(14-15-25(28)34-31(36)29-17-22-7-3-4-8-26(22)39-29)33-30(35)20-12-10-19(11-13-20)24-16-21-6-2-5-9-27(21)40-32(24)37/h2-18H,1H3,(H,33,35)(H,34,36)
InChIKeyWUGNZJZKRNOVNT-UHFFFAOYSA-N
MW530.54 g/mol
LogP6.72
Rot. Bonds6

About N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide

N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2958483) has the molecular formula C32H22N2O6 and a molecular weight of 530.54 g/mol. Its IUPAC name is N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID2958483
Molecular FormulaC32H22N2O6
Molecular Weight530.54 g/mol
Exact Mass530.15
IUPAC NameN-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C32H22N2O6/c1-38-28-18-23(14-15-25(28)34-31(36)29-17-22-7-3-4-8-26(22)39-29)33-30(35)20-12-10-19(11-13-20)24-16-21-6-2-5-9-27(21)40-32(24)37/h2-18H,1H3,(H,33,35)(H,34,36)
InChIKeyWUGNZJZKRNOVNT-UHFFFAOYSA-N
XLogP6.72
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453
4-(2-oxochromen-3-yl)-N-(2,4,5-trichlorophenyl)benzamide
CID 4695361

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide (CID 2958483) is N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is WUGNZJZKRNOVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O6/c1-38-28-18-23(14-15-25(28)34-31(36)29-17-22-7-3-4-8-26(22)39-29)33-30(35)20-12-10-19(11-13-20)24-16-21-6-2-5-9-27(21)40-32(24)37/h2-18H,1H3,(H,33,35)(H,34,36).
What are the key properties of N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide?
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 530.54 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2958483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).