(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide

C19H20N2O3 — CID 138523705

IUPAC(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)c2c(c1)[C@](C)(c1ccccc1)CO2
InChIInChI=1S/C19H20N2O3/c1-19(13-7-5-4-6-8-13)11-24-16-14(18(23)21-3)9-12(10-15(16)19)17(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)/t19-/m0/s1
InChIKeyNQWFBOWKAUANTC-IBGZPJMESA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds3

About (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide

(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide (PubChem CID 138523705) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
PubChem CID138523705
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)c2c(c1)[C@](C)(c1ccccc1)CO2
InChIInChI=1S/C19H20N2O3/c1-19(13-7-5-4-6-8-13)11-24-16-14(18(23)21-3)9-12(10-15(16)19)17(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)/t19-/m0/s1
InChIKeyNQWFBOWKAUANTC-IBGZPJMESA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide (CID 138523705) is (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NC)c2c(c1)[C@](C)(c1ccccc1)CO2.
What is the InChIKey of (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
The InChIKey is NQWFBOWKAUANTC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(13-7-5-4-6-8-13)11-24-16-14(18(23)21-3)9-12(10-15(16)19)17(22)20-2/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)/t19-/m0/s1.
What are the key properties of (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide?
(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 138523705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).