2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

C24H22N2O3S — CID 134076950

IUPAC2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCc1cccs1)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1
InChIInChI=1S/C24H22N2O3S/c27-22(25-14-19-10-6-12-30-19)21-13-24(16-29-21)20-11-5-4-9-18(20)15-26(24)23(28)17-7-2-1-3-8-17/h1-12,21H,13-16H2,(H,25,27)
InChIKeyIYMYNCODVLNKOP-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.70
Rot. Bonds4

About 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (PubChem CID 134076950) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
PubChem CID134076950
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESO=C(NCc1cccs1)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1
InChIInChI=1S/C24H22N2O3S/c27-22(25-14-19-10-6-12-30-19)21-13-24(16-29-21)20-11-5-4-9-18(20)15-26(24)23(28)17-7-2-1-3-8-17/h1-12,21H,13-16H2,(H,25,27)
InChIKeyIYMYNCODVLNKOP-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439490
4-benzoyl-N-(thiophen-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
CID 131680354
(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 124522503
(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26325970
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
1-ethyl-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 174883213
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
(2R,3S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635846
(1R)-3-oxo-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 95096376
2-(cyclopropanecarbonyl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 71838143
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (CID 134076950) is 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is O=C(NCc1cccs1)C1CC2(CO1)c1ccccc1CN2C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is IYMYNCODVLNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c27-22(25-14-19-10-6-12-30-19)21-13-24(16-29-21)20-11-5-4-9-18(20)15-26(24)23(28)17-7-2-1-3-8-17/h1-12,21H,13-16H2,(H,25,27).
What are the key properties of 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 134076950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).