N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C24H28N2O5S — CID 20946203

IUPACN-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)c1
InChIInChI=1S/C24H28N2O5S/c1-4-15-12-17-19(25-18-8-7-9-21(27)24(17)18)14-23(15)32(28,29)26-20-13-16(30-5-2)10-11-22(20)31-6-3/h10-14,25-26H,4-9H2,1-3H3
InChIKeyQFDROGXCWVTKEN-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.85
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20946203) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20946203
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)c1
InChIInChI=1S/C24H28N2O5S/c1-4-15-12-17-19(25-18-8-7-9-21(27)24(17)18)14-23(15)32(28,29)26-20-13-16(30-5-2)10-11-22(20)31-6-3/h10-14,25-26H,4-9H2,1-3H3
InChIKeyQFDROGXCWVTKEN-UHFFFAOYSA-N
XLogP4.85
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide 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

7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
CID 107958537
N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945974
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946133
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
CID 3868034
2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478
N-(2,5-diethoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)furan-2-sulfonamide
CID 20927097
2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722974
2,5-diethoxy-N-(2-fluorophenyl)benzenesulfonamide
CID 7574411
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20946203) is N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2CC)C(=O)CCC4)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is QFDROGXCWVTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-4-15-12-17-19(25-18-8-7-9-21(27)24(17)18)14-23(15)32(28,29)26-20-13-16(30-5-2)10-11-22(20)31-6-3/h10-14,25-26H,4-9H2,1-3H3.
What are the key properties of N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 456.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20946203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).