N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C20H22N2O4S — CID 131640592

IUPACN-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCS(=O)(=O)N1CC2(COC(C(=O)NCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-13-20(16-9-5-6-10-17(16)22)11-18(26-14-20)19(23)21-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23)
InChIKeyWWZYGBJJFLJAFB-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.81
Rot. Bonds4

About N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 131640592) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID131640592
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCS(=O)(=O)N1CC2(COC(C(=O)NCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H22N2O4S/c1-27(24,25)22-13-20(16-9-5-6-10-17(16)22)11-18(26-14-20)19(23)21-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23)
InChIKeyWWZYGBJJFLJAFB-UHFFFAOYSA-N
XLogP1.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440101
N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131641908
(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
N-[1-(benzylamino)-3-phenylpropan-2-yl]-1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
CID 10186834
(2R)-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94023947
(2R)-N-benzyl-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93487263
(2R)-N-benzyl-7-methyl-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 95081278
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
(2S)-N-[(4-chlorophenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92677239
1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
CID 69453144
1-acetyl-N-cyclopentylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 134076938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 131640592) is N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is CS(=O)(=O)N1CC2(COC(C(=O)NCc3ccccc3)C2)c2ccccc21.
What is the InChIKey of N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is WWZYGBJJFLJAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-27(24,25)22-13-20(16-9-5-6-10-17(16)22)11-18(26-14-20)19(23)21-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 131640592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).