2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide

C23H26N2O2S — CID 46421494

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H26N2O2S/c1-28-18-9-6-8-17(15-18)24-22(26)19-10-3-4-11-20(19)23(27)25-14-13-16-7-2-5-12-21(16)25/h2,5-9,12,15,19-20H,3-4,10-11,13-14H2,1H3,(H,24,26)
InChIKeyXHSZMNMMEJIKRO-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.74
Rot. Bonds4

About 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide (PubChem CID 46421494) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
PubChem CID46421494
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H26N2O2S/c1-28-18-9-6-8-17(15-18)24-22(26)19-10-3-4-11-20(19)23(27)25-14-13-16-7-2-5-12-21(16)25/h2,5-9,12,15,19-20H,3-4,10-11,13-14H2,1H3,(H,24,26)
InChIKeyXHSZMNMMEJIKRO-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 42893823
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
1-[(2R)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-(3-methylsulfanylphenyl)urea
CID 92881417
4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26057672
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-(5-methylsulfanyl-3-pyridinyl)-2,3-dihydroindole-1-carboxamide
CID 67754562

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide (CID 46421494) is 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide is CSc1cccc(NC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide?
The InChIKey is XHSZMNMMEJIKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-28-18-9-6-8-17(15-18)24-22(26)19-10-3-4-11-20(19)23(27)25-14-13-16-7-2-5-12-21(16)25/h2,5-9,12,15,19-20H,3-4,10-11,13-14H2,1H3,(H,24,26).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).