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

C22H26N2O4S — CID 20946091

IUPAC3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)Cc1ccco1)CC(C)(C)CC3=O
InChIInChI=1S/C22H26N2O4S/c1-5-14-9-16-17(23-18-11-22(2,3)12-19(25)21(16)18)10-20(14)29(26,27)24(4)13-15-7-6-8-28-15/h6-10,23H,5,11-13H2,1-4H3
InChIKeyJDZACYSABGZYKI-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.30
Rot. Bonds5

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

3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20946091) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20946091
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)Cc1ccco1)CC(C)(C)CC3=O
InChIInChI=1S/C22H26N2O4S/c1-5-14-9-16-17(23-18-11-22(2,3)12-19(25)21(16)18)10-20(14)29(26,27)24(4)13-15-7-6-8-28-15/h6-10,23H,5,11-13H2,1-4H3
InChIKeyJDZACYSABGZYKI-UHFFFAOYSA-N
XLogP4.30
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide with MolForge

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Related Compounds

3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946071
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945863
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946230
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20946091) is 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)N(C)Cc1ccco1)CC(C)(C)CC3=O.
What is the InChIKey of 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is JDZACYSABGZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-5-14-9-16-17(23-18-11-22(2,3)12-19(25)21(16)18)10-20(14)29(26,27)24(4)13-15-7-6-8-28-15/h6-10,23H,5,11-13H2,1-4H3.
What are the key properties of 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 414.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20946091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).