N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C15H12N4O4S2 — CID 22517604

IUPACN-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccco1
InChIInChI=1S/C15H12N4O4S2/c20-13(12-6-3-9-23-12)16-14-17-18-15(24-14)25(21,22)19-8-7-10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H,16,17,20)
InChIKeyKOUSPSUIHVZRKJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.13
Rot. Bonds4

About N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 22517604) has the molecular formula C15H12N4O4S2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID22517604
Molecular FormulaC15H12N4O4S2
Molecular Weight376.42 g/mol
Exact Mass376.03
IUPAC NameN-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccco1
InChIInChI=1S/C15H12N4O4S2/c20-13(12-6-3-9-23-12)16-14-17-18-15(24-14)25(21,22)19-8-7-10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H,16,17,20)
InChIKeyKOUSPSUIHVZRKJ-UHFFFAOYSA-N
XLogP2.13
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 22517621
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]furan-2-carboxamide
CID 113031763
N-[5-[[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100703343
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2492615
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24557600
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 686182

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 22517604) is N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1)c1ccco1.
What is the InChIKey of N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is KOUSPSUIHVZRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S2/c20-13(12-6-3-9-23-12)16-14-17-18-15(24-14)25(21,22)19-8-7-10-4-1-2-5-11(10)19/h1-6,9H,7-8H2,(H,16,17,20).
What are the key properties of N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 22517604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).