(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C32H30N2O6 — CID 164620700

IUPAC(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(CCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C32H30N2O6/c1-38-23-16-14-22(15-17-23)33-31(36)30-27(28-29(40-30)24-7-2-3-8-25(24)39-32(28)37)21-12-10-20(11-13-21)6-4-18-34-19-5-9-26(34)35/h2-3,7-8,10-17,27,30H,4-6,9,18-19H2,1H3,(H,33,36)/t27-,30-/m0/s1
InChIKeyGHBDBTVKTLLIOR-FIBWVYCGSA-N
MW538.60 g/mol
LogP4.89
Rot. Bonds8

About (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 164620700) has the molecular formula C32H30N2O6 and a molecular weight of 538.60 g/mol. Its IUPAC name is (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID164620700
Molecular FormulaC32H30N2O6
Molecular Weight538.60 g/mol
Exact Mass538.21
IUPAC Name(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(CCCN3CCCC3=O)cc2)cc1
InChIInChI=1S/C32H30N2O6/c1-38-23-16-14-22(15-17-23)33-31(36)30-27(28-29(40-30)24-7-2-3-8-25(24)39-32(28)37)21-12-10-20(11-13-21)6-4-18-34-19-5-9-26(34)35/h2-3,7-8,10-17,27,30H,4-6,9,18-19H2,1H3,(H,33,36)/t27-,30-/m0/s1
InChIKeyGHBDBTVKTLLIOR-FIBWVYCGSA-N
XLogP4.89
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 164620700) is (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(CCCN3CCCC3=O)cc2)cc1.
What is the InChIKey of (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is GHBDBTVKTLLIOR-FIBWVYCGSA-N. The full InChI is InChI=1S/C32H30N2O6/c1-38-23-16-14-22(15-17-23)33-31(36)30-27(28-29(40-30)24-7-2-3-8-25(24)39-32(28)37)21-12-10-20(11-13-21)6-4-18-34-19-5-9-26(34)35/h2-3,7-8,10-17,27,30H,4-6,9,18-19H2,1H3,(H,33,36)/t27-,30-/m0/s1.
What are the key properties of (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-methoxyphenyl)-4-oxo-3-[4-[3-(2-oxopyrrolidin-1-yl)propyl]phenyl]-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 164620700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).