(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C25H26N2O3S — CID 124522503

IUPAC(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCOc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)NCc4cccs4)C3)c3ccccc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-29-19-10-8-18(9-11-19)15-27-16-25(21-6-2-3-7-22(21)27)13-23(30-17-25)24(28)26-14-20-5-4-12-31-20/h2-12,23H,13-17H2,1H3,(H,26,28)/t23-,25+/m1/s1
InChIKeyGTQOMQVUMBTSOV-NOZRDPDXSA-N
MW434.56 g/mol
LogP4.12
Rot. Bonds6

About (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 124522503) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID124522503
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCOc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)NCc4cccs4)C3)c3ccccc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-29-19-10-8-18(9-11-19)15-27-16-25(21-6-2-3-7-22(21)27)13-23(30-17-25)24(28)26-14-20-5-4-12-31-20/h2-12,23H,13-17H2,1H3,(H,26,28)/t23-,25+/m1/s1
InChIKeyGTQOMQVUMBTSOV-NOZRDPDXSA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-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

Related Compounds

[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131655489
[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
CID 124521340
(2'S,3S)-1-[(4-methoxyphenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440071
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
(5R,7S)-N-[(4-methoxyphenyl)methyl]-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 86809850
2-benzoyl-N-(thiophen-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 134076950
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
2-(4-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077654
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
2-[[[(4-methoxyphenyl)methyl-methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111272559

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 124522503) is (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is COc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)NCc4cccs4)C3)c3ccccc32)cc1.
What is the InChIKey of (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is GTQOMQVUMBTSOV-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-29-19-10-8-18(9-11-19)15-27-16-25(21-6-2-3-7-22(21)27)13-23(30-17-25)24(28)26-14-20-5-4-12-31-20/h2-12,23H,13-17H2,1H3,(H,26,28)/t23-,25+/m1/s1.
What are the key properties of (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 124522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).