3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide

C21H24N2O3S2 — CID 20946071

IUPAC3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1cccs1)CC(C)(C)CC3=O
InChIInChI=1S/C21H24N2O3S2/c1-4-13-8-15-16(23-17-10-21(2,3)11-18(24)20(15)17)9-19(13)28(25,26)22-12-14-6-5-7-27-14/h5-9,22-23H,4,10-12H2,1-3H3
InChIKeyGHLPZODQTSMMEG-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.43
Rot. Bonds5

About 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide

3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20946071) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound Name3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20946071
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC Name3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1cccs1)CC(C)(C)CC3=O
InChIInChI=1S/C21H24N2O3S2/c1-4-13-8-15-16(23-17-10-21(2,3)11-18(24)20(15)17)9-19(13)28(25,26)22-12-14-6-5-7-27-14/h5-9,22-23H,4,10-12H2,1-3H3
InChIKeyGHLPZODQTSMMEG-UHFFFAOYSA-N
XLogP4.43
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20946071) is 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1cccs1)CC(C)(C)CC3=O.
What is the InChIKey of 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is GHLPZODQTSMMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-4-13-8-15-16(23-17-10-21(2,3)11-18(24)20(15)17)9-19(13)28(25,26)22-12-14-6-5-7-27-14/h5-9,22-23H,4,10-12H2,1-3H3.
What are the key properties of 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide?
3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 416.57 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20946071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).