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

C22H26N2O4S2 — CID 20945863

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCSCc1ccco1)CC(C)(C)CC3=O
InChIInChI=1S/C22H26N2O4S2/c1-14-9-16-17(24-18-11-22(2,3)12-19(25)21(16)18)10-20(14)30(26,27)23-6-8-29-13-15-5-4-7-28-15/h4-5,7,9-10,23-24H,6,8,11-13H2,1-3H3
InChIKeyHZWGBIPTIULYEG-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.44
Rot. Bonds7

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20945863) has the molecular formula C22H26N2O4S2 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20945863
Molecular FormulaC22H26N2O4S2
Molecular Weight446.59 g/mol
Exact Mass446.13
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCSCc1ccco1)CC(C)(C)CC3=O
InChIInChI=1S/C22H26N2O4S2/c1-14-9-16-17(24-18-11-22(2,3)12-19(25)21(16)18)10-20(14)30(26,27)23-6-8-29-13-15-5-4-7-28-15/h4-5,7,9-10,23-24H,6,8,11-13H2,1-3H3
InChIKeyHZWGBIPTIULYEG-UHFFFAOYSA-N
XLogP4.44
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945852
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367232
3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946091
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946230
3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946071
2,2,6-trimethyl-7-(3-phenylpyrrolidin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945841
2,2,6-trimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,9-dihydro-1H-carbazol-4-one
CID 20945797
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968690
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20945863) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCCSCc1ccco1)CC(C)(C)CC3=O.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is HZWGBIPTIULYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S2/c1-14-9-16-17(24-18-11-22(2,3)12-19(25)21(16)18)10-20(14)30(26,27)23-6-8-29-13-15-5-4-7-28-15/h4-5,7,9-10,23-24H,6,8,11-13H2,1-3H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 446.59 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20945863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).