N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide

C34H24N2O10S — CID 163236456

IUPACN-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide
SMILESCOc1cccc(NC(=O)C2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)C(C(=O)Nc4cccc(OC)c4)C5=O)cc3C2=O)c1
InChIInChI=1S/C34H24N2O10S/c1-45-19-7-3-5-17(13-19)35-33(41)27-29(37)23-11-9-21(15-25(23)31(27)39)47(43,44)22-10-12-24-26(16-22)32(40)28(30(24)38)34(42)36-18-6-4-8-20(14-18)46-2/h3-16,27-28H,1-2H3,(H,35,41)(H,36,42)
InChIKeyVHBMWFLYPLAPRK-UHFFFAOYSA-N
MW652.64 g/mol
LogP3.80
Rot. Bonds8

About N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide

N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide (PubChem CID 163236456) has the molecular formula C34H24N2O10S and a molecular weight of 652.64 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide
PubChem CID163236456
Molecular FormulaC34H24N2O10S
Molecular Weight652.64 g/mol
Exact Mass652.12
IUPAC NameN-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide
SMILESCOc1cccc(NC(=O)C2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)C(C(=O)Nc4cccc(OC)c4)C5=O)cc3C2=O)c1
InChIInChI=1S/C34H24N2O10S/c1-45-19-7-3-5-17(13-19)35-33(41)27-29(37)23-11-9-21(15-25(23)31(27)39)47(43,44)22-10-12-24-26(16-22)32(40)28(30(24)38)34(42)36-18-6-4-8-20(14-18)46-2/h3-16,27-28H,1-2H3,(H,35,41)(H,36,42)
InChIKeyVHBMWFLYPLAPRK-UHFFFAOYSA-N
XLogP3.80
TPSA179.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.64
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide (CID 163236456) is N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide is COc1cccc(NC(=O)C2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)C(C(=O)Nc4cccc(OC)c4)C5=O)cc3C2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide?
The InChIKey is VHBMWFLYPLAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O10S/c1-45-19-7-3-5-17(13-19)35-33(41)27-29(37)23-11-9-21(15-25(23)31(27)39)47(43,44)22-10-12-24-26(16-22)32(40)28(30(24)38)34(42)36-18-6-4-8-20(14-18)46-2/h3-16,27-28H,1-2H3,(H,35,41)(H,36,42).
What are the key properties of N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide?
N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide has a molecular weight of 652.64 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[2-[(3-methoxyphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide is sourced from PubChem (CID 163236456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).