2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole

C22H19NO2S — CID 132537525

IUPAC2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
SMILESCOc1cc2c(cc1OC)N(c1ccccc1)C1c3ccccc3SC21
InChIInChI=1S/C22H19NO2S/c1-24-18-12-16-17(13-19(18)25-2)23(14-8-4-3-5-9-14)21-15-10-6-7-11-20(15)26-22(16)21/h3-13,21-22H,1-2H3
InChIKeyAYIANVLZHYFMRY-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.74
Rot. Bonds3

About 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole

2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole (PubChem CID 132537525) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
PubChem CID132537525
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
SMILESCOc1cc2c(cc1OC)N(c1ccccc1)C1c3ccccc3SC21
InChIInChI=1S/C22H19NO2S/c1-24-18-12-16-17(13-19(18)25-2)23(14-8-4-3-5-9-14)21-15-10-6-7-11-20(15)26-22(16)21/h3-13,21-22H,1-2H3
InChIKeyAYIANVLZHYFMRY-UHFFFAOYSA-N
XLogP5.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384479
4-methoxy-2-(4-methoxy-1-phenyl-2,3-dihydro-1,3-benzazaphosphol-2-yl)-1-phenyl-2,3-dihydro-1,3-benzazaphosphole
CID 134603332
6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
CID 102384481
[(2R,3S)-2-(2-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl] acetate
CID 10903010
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384485
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
(3aS,8bS)-3-(4-methoxyphenyl)-3a,8b-dihydro-[1]benzothiolo[2,3-d][1,2]oxazole
CID 100951293
3-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-3H-1,2,4-triazole-5-thione
CID 57363153
2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
CID 91579106
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
(1R,8S,9R,10S)-4,5-dimethoxy-9-phenyl-10-(2-phenylethynyl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 24788047

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole (CID 132537525) is 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole is COc1cc2c(cc1OC)N(c1ccccc1)C1c3ccccc3SC21.
What is the InChIKey of 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
The InChIKey is AYIANVLZHYFMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-24-18-12-16-17(13-19(18)25-2)23(14-8-4-3-5-9-14)21-15-10-6-7-11-20(15)26-22(16)21/h3-13,21-22H,1-2H3.
What are the key properties of 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole?
2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole has a molecular weight of 361.47 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 132537525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).