(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide

C30H24N4S — CID 126338049

IUPAC(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESC[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C30H24N4S/c1-20-18-23-14-8-9-15-27(23)34(20)30(35)31-24-16-17-25-26(19-24)33-29(22-12-6-3-7-13-22)28(32-25)21-10-4-2-5-11-21/h2-17,19-20H,18H2,1H3,(H,31,35)/t20-/m1/s1
InChIKeyDZCCEWQGQJWDMN-HXUWFJFHSA-N
MW472.62 g/mol
LogP7.11
Rot. Bonds3

About (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide

(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide (PubChem CID 126338049) has the molecular formula C30H24N4S and a molecular weight of 472.62 g/mol. Its IUPAC name is (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound Name(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide
PubChem CID126338049
Molecular FormulaC30H24N4S
Molecular Weight472.62 g/mol
Exact Mass472.17
IUPAC Name(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide
SMILESC[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C30H24N4S/c1-20-18-23-14-8-9-15-27(23)34(20)30(35)31-24-16-17-25-26(19-24)33-29(22-12-6-3-7-13-22)28(32-25)21-10-4-2-5-11-21/h2-17,19-20H,18H2,1H3,(H,31,35)/t20-/m1/s1
InChIKeyDZCCEWQGQJWDMN-HXUWFJFHSA-N
XLogP7.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 19686679
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
N-(4-butan-2-ylphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 17283940
(2S)-N-[4-(ethylsulfamoyl)phenyl]-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 27520493
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
(2R)-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydroindole-1-carbothioamide
CID 40576503
(2S)-2-methyl-N-(1,10-phenanthrolin-5-yl)-2,3-dihydroindole-1-carbothioamide
CID 126326019
ethyl 2-[(2-methyl-2,3-dihydroindole-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate
CID 3280591
methyl 5-methyl-2-[[(2R)-2-methyl-2,3-dihydroindole-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate
CID 27525847
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide (CID 126338049) is (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide is C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide?
The InChIKey is DZCCEWQGQJWDMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H24N4S/c1-20-18-23-14-8-9-15-27(23)34(20)30(35)31-24-16-17-25-26(19-24)33-29(22-12-6-3-7-13-22)28(32-25)21-10-4-2-5-11-21/h2-17,19-20H,18H2,1H3,(H,31,35)/t20-/m1/s1.
What are the key properties of (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide?
(2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide has a molecular weight of 472.62 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-diphenylquinoxalin-6-yl)-2-methyl-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 126338049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).