5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide

C26H24N4O3S2 — CID 143666355

IUPAC5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NCc3nccs3)c(C)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C26H24N4O3S2/c1-4-35(32,33)18-7-5-6-17(11-18)20-12-19(26(31)29-14-22-27-8-9-34-22)16(3)24-23(20)21-10-15(2)13-28-25(21)30-24/h5-13H,4,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyRRCPNEBUHPHKMG-UHFFFAOYSA-N
MW504.64 g/mol
LogP5.18
Rot. Bonds6

About 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide

5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide (PubChem CID 143666355) has the molecular formula C26H24N4O3S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide.

Molecular Properties

Compound Name5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide
PubChem CID143666355
Molecular FormulaC26H24N4O3S2
Molecular Weight504.64 g/mol
Exact Mass504.13
IUPAC Name5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide
SMILESCCS(=O)(=O)c1cccc(-c2cc(C(=O)NCc3nccs3)c(C)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C26H24N4O3S2/c1-4-35(32,33)18-7-5-6-17(11-18)20-12-19(26(31)29-14-22-27-8-9-34-22)16(3)24-23(20)21-10-15(2)13-28-25(21)30-24/h5-13H,4,14H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyRRCPNEBUHPHKMG-UHFFFAOYSA-N
XLogP5.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The IUPAC name of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide (CID 143666355) is 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide.
What is the SMILES notation for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The canonical SMILES for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide is CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCc3nccs3)c(C)c3[nH]c4ncc(C)cc4c23)c1.
What is the InChIKey of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide?
The InChIKey is RRCPNEBUHPHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S2/c1-4-35(32,33)18-7-5-6-17(11-18)20-12-19(26(31)29-14-22-27-8-9-34-22)16(3)24-23(20)21-10-15(2)13-28-25(21)30-24/h5-13H,4,14H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide?
5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide has a molecular weight of 504.64 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1,3-thiazol-2-ylmethyl)-9H-pyrido[2,3-b]indole-7-carboxamide is sourced from PubChem (CID 143666355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).