N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C18H22N2O4S2 — CID 100548107

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21
InChIInChI=1S/C18H22N2O4S2/c1-2-18(21)20-9-7-14-12-16(5-6-17(14)20)26(22,23)19-8-11-25-13-15-4-3-10-24-15/h3-6,10,12,19H,2,7-9,11,13H2,1H3
InChIKeyYKFRUFLRXSVJDY-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.79
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 100548107) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID100548107
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21
InChIInChI=1S/C18H22N2O4S2/c1-2-18(21)20-9-7-14-12-16(5-6-17(14)20)26(22,23)19-8-11-25-13-15-4-3-10-24-15/h3-6,10,12,19H,2,7-9,11,13H2,1H3
InChIKeyYKFRUFLRXSVJDY-UHFFFAOYSA-N
XLogP2.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 53025616
N-[2-(2-chlorophenoxy)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100588228
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254034
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 46361239
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 100548107) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YKFRUFLRXSVJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-18(21)20-9-7-14-12-16(5-6-17(14)20)26(22,23)19-8-11-25-13-15-4-3-10-24-15/h3-6,10,12,19H,2,7-9,11,13H2,1H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100548107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).