1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide

C24H28N2O3S — CID 69453144

IUPAC1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O3S/c1-30(28,29)26-16-24(20-9-5-6-10-22(20)26)13-11-18(12-14-24)23(27)25-21-15-19(21)17-7-3-2-4-8-17/h2-10,18-19,21H,11-16H2,1H3,(H,25,27)/t18?,19-,21+,24?/m0/s1
InChIKeyVNSKETMKQSOBFZ-MWNKXFNGSA-N
MW424.57 g/mol
LogP3.57
Rot. Bonds4

About 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide

1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide (PubChem CID 69453144) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
PubChem CID69453144
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H28N2O3S/c1-30(28,29)26-16-24(20-9-5-6-10-22(20)26)13-11-18(12-14-24)23(27)25-21-15-19(21)17-7-3-2-4-8-17/h2-10,18-19,21H,11-16H2,1H3,(H,25,27)/t18?,19-,21+,24?/m0/s1
InChIKeyVNSKETMKQSOBFZ-MWNKXFNGSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide (CID 69453144) is 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide is CS(=O)(=O)N1CC2(CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
The InChIKey is VNSKETMKQSOBFZ-MWNKXFNGSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-30(28,29)26-16-24(20-9-5-6-10-22(20)26)13-11-18(12-14-24)23(27)25-21-15-19(21)17-7-3-2-4-8-17/h2-10,18-19,21H,11-16H2,1H3,(H,25,27)/t18?,19-,21+,24?/m0/s1.
What are the key properties of 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide?
1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1R,2S)-2-phenylcyclopropyl]spiro[2H-indole-3,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 69453144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).