1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C18H20N2O4S — CID 3238776

IUPAC1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21
InChIInChI=1S/C18H20N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h2,5-7,10-11,13,19H,1,3-4,8-9,12H2
InChIKeyOMOVATYNTQVNHY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.45
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 3238776) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID3238776
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21
InChIInChI=1S/C18H20N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h2,5-7,10-11,13,19H,1,3-4,8-9,12H2
InChIKeyOMOVATYNTQVNHY-UHFFFAOYSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 122174957
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
1-(cyclopropanecarbonyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 46361239
1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 3238776) is 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OMOVATYNTQVNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h2,5-7,10-11,13,19H,1,3-4,8-9,12H2.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3238776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).