(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H14N2O5 — CID 7096372

IUPAC(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C18H14N2O5/c19-17(21)16-15(10-5-1-2-6-11(10)25-16)20-18(22)14-9-23-12-7-3-4-8-13(12)24-14/h1-8,14H,9H2,(H2,19,21)(H,20,22)/t14-/m0/s1
InChIKeyKFHNWZAHXVOPRQ-AWEZNQCLSA-N
MW338.32 g/mol
LogP2.31
Rot. Bonds3

About (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 7096372) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID7096372
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C18H14N2O5/c19-17(21)16-15(10-5-1-2-6-11(10)25-16)20-18(22)14-9-23-12-7-3-4-8-13(12)24-14/h1-8,14H,9H2,(H2,19,21)(H,20,22)/t14-/m0/s1
InChIKeyKFHNWZAHXVOPRQ-AWEZNQCLSA-N
XLogP2.31
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4057986
(3R)-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 35043971
(3R)-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2207639
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60653541
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2950293
N'-[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 5031359
N-[2-(bromomethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114309728
(3R)-N-(2-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724295
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-carbamoyl-1-benzofuran-3-yl)oxamide
CID 18587361

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 7096372) is (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1.
What is the InChIKey of (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KFHNWZAHXVOPRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14N2O5/c19-17(21)16-15(10-5-1-2-6-11(10)25-16)20-18(22)14-9-23-12-7-3-4-8-13(12)24-14/h1-8,14H,9H2,(H2,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-carbamoyl-1-benzofuran-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 7096372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).