(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C19H22N2O5S — CID 97440101

IUPAC(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(S(C)(=O)=O)c2ccccc23)o1
InChIInChI=1S/C19H22N2O5S/c1-13-7-8-14(26-13)10-20-18(22)17-9-19(12-25-17)11-21(27(2,23)24)16-6-4-3-5-15(16)19/h3-8,17H,9-12H2,1-2H3,(H,20,22)/t17-,19-/m1/s1
InChIKeyIGGVPZFQDFADGY-IEBWSBKVSA-N
MW390.46 g/mol
LogP1.71
Rot. Bonds4

About (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 97440101) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID97440101
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(S(C)(=O)=O)c2ccccc23)o1
InChIInChI=1S/C19H22N2O5S/c1-13-7-8-14(26-13)10-20-18(22)17-9-19(12-25-17)11-21(27(2,23)24)16-6-4-3-5-15(16)19/h3-8,17H,9-12H2,1-2H3,(H,20,22)/t17-,19-/m1/s1
InChIKeyIGGVPZFQDFADGY-IEBWSBKVSA-N
XLogP1.71
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131641908
N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131640592
(2'S,3S)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781646
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781644
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
(2R)-N-(furan-2-ylmethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30394029
1-acetyl-N-cyclopentylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 134076938
1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
CID 69453144
(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440045
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
2,2-dimethyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835246

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 97440101) is (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(S(C)(=O)=O)c2ccccc23)o1.
What is the InChIKey of (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is IGGVPZFQDFADGY-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-7-8-14(26-13)10-20-18(22)17-9-19(12-25-17)11-21(27(2,23)24)16-6-4-3-5-15(16)19/h3-8,17H,9-12H2,1-2H3,(H,20,22)/t17-,19-/m1/s1.
What are the key properties of (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 97440101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).