3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C20H22N2O4S — CID 20946230

IUPAC3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccco1)CCCC3=O
InChIInChI=1S/C20H22N2O4S/c1-2-13-11-15-17(22-16-6-3-7-18(23)20(15)16)12-19(13)27(24,25)21-9-8-14-5-4-10-26-14/h4-5,10-12,21-22H,2-3,6-9H2,1H3
InChIKeyJFZZPXTZGUDUIT-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.36
Rot. Bonds6

About 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20946230) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20946230
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccco1)CCCC3=O
InChIInChI=1S/C20H22N2O4S/c1-2-13-11-15-17(22-16-6-3-7-18(23)20(15)16)12-19(13)27(24,25)21-9-8-14-5-4-10-26-14/h4-5,10-12,21-22H,2-3,6-9H2,1H3
InChIKeyJFZZPXTZGUDUIT-UHFFFAOYSA-N
XLogP3.36
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide with MolForge

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Related Compounds

N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946210
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946129
3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946091
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945863
3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946071
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47014543
2,5-dibromo-N-[2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 81423180
2-amino-4-fluoro-N-[2-(furan-2-yl)ethyl]benzenesulfonamide
CID 61128180
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20946230) is 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCc1ccco1)CCCC3=O.
What is the InChIKey of 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is JFZZPXTZGUDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-2-13-11-15-17(22-16-6-3-7-18(23)20(15)16)12-19(13)27(24,25)21-9-8-14-5-4-10-26-14/h4-5,10-12,21-22H,2-3,6-9H2,1H3.
What are the key properties of 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20946230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).