(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H17N5O2 — CID 95772190

IUPAC(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17N5O2/c1-2-17-20-21-22-23(17)14-9-5-4-8-13(14)19-18(24)16-11-12-7-3-6-10-15(12)25-16/h3-10,16H,2,11H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyRYEMVFIVAHVTRS-INIZCTEOSA-N
MW335.37 g/mol
LogP2.17
Rot. Bonds4

About (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95772190) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95772190
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1nnnn1-c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C18H17N5O2/c1-2-17-20-21-22-23(17)14-9-5-4-8-13(14)19-18(24)16-11-12-7-3-6-10-15(12)25-16/h3-10,16H,2,11H2,1H3,(H,19,24)/t16-/m0/s1
InChIKeyRYEMVFIVAHVTRS-INIZCTEOSA-N
XLogP2.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95772190) is (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCc1nnnn1-c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RYEMVFIVAHVTRS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-2-17-20-21-22-23(17)14-9-5-4-8-13(14)19-18(24)16-11-12-7-3-6-10-15(12)25-16/h3-10,16H,2,11H2,1H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-ethyltetrazol-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95772190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).