N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide

C26H25N3O4S — CID 41267765

IUPACN-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C
InChIInChI=1S/C26H25N3O4S/c1-17-11-12-18(15-25(17)34(31,32)28-23-9-5-6-10-24(23)33-2)26(30)29-14-13-22-20(16-29)19-7-3-4-8-21(19)27-22/h3-12,15,27-28H,13-14,16H2,1-2H3
InChIKeyCFTVVECRNMYOMW-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.48
Rot. Bonds5

About N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide (PubChem CID 41267765) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide
PubChem CID41267765
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C
InChIInChI=1S/C26H25N3O4S/c1-17-11-12-18(15-25(17)34(31,32)28-23-9-5-6-10-24(23)33-2)26(30)29-14-13-22-20(16-29)19-7-3-4-8-21(19)27-22/h3-12,15,27-28H,13-14,16H2,1-2H3
InChIKeyCFTVVECRNMYOMW-UHFFFAOYSA-N
XLogP4.48
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
(3-methoxy-4-phenylmethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 16601283
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
(3,4-dimethoxyphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089557
(3,4-dimethoxyphenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4839273
N-(2,3-dimethylphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 2226912
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
(2,6-dimethoxyphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84579345
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide (CID 41267765) is N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide?
The InChIKey is CFTVVECRNMYOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-17-11-12-18(15-25(17)34(31,32)28-23-9-5-6-10-24(23)33-2)26(30)29-14-13-22-20(16-29)19-7-3-4-8-21(19)27-22/h3-12,15,27-28H,13-14,16H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide has a molecular weight of 475.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 41267765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).