N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C20H18N4O3S2 — CID 2161611

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H18N4O3S2/c25-18(21-20-23-22-19(28-20)14-8-9-14)15-5-3-6-16(12-15)29(26,27)24-11-10-13-4-1-2-7-17(13)24/h1-7,12,14H,8-11H2,(H,21,23,25)
InChIKeyCYKLZBXYYUFINU-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.42
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 2161611) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID2161611
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C20H18N4O3S2/c25-18(21-20-23-22-19(28-20)14-8-9-14)15-5-3-6-16(12-15)29(26,27)24-11-10-13-4-1-2-7-17(13)24/h1-7,12,14H,8-11H2,(H,21,23,25)
InChIKeyCYKLZBXYYUFINU-UHFFFAOYSA-N
XLogP3.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1309961
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide
CID 1615340
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2094245
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2441045
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2536397
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 2998296
N-[5-(2,3-Dihydro-1H-indole-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-4-methylbenzamide
CID 16017402
N-{5-[(2-methyl-2,3-dihydro-1H-indol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 16017496
5-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 25163281
3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1235837
3-[methyl(phenyl)sulfamoyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2102311
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334532

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 2161611) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is CYKLZBXYYUFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c25-18(21-20-23-22-19(28-20)14-8-9-14)15-5-3-6-16(12-15)29(26,27)24-11-10-13-4-1-2-7-17(13)24/h1-7,12,14H,8-11H2,(H,21,23,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 2161611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).