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

C19H18N4O3S2 — CID 2999392

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C19H18N4O3S2/c1-2-17-21-22-19(27-17)20-18(24)14-7-5-8-15(12-14)28(25,26)23-11-10-13-6-3-4-9-16(13)23/h3-9,12H,2,10-11H2,1H3,(H,20,22,24)
InChIKeyVVBKWGCXTDLOEN-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.10
Rot. Bonds5

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2999392) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2999392
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C19H18N4O3S2/c1-2-17-21-22-19(27-17)20-18(24)14-7-5-8-15(12-14)28(25,26)23-11-10-13-6-3-4-9-16(13)23/h3-9,12H,2,10-11H2,1H3,(H,20,22,24)
InChIKeyVVBKWGCXTDLOEN-UHFFFAOYSA-N
XLogP3.10
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2999392) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VVBKWGCXTDLOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-2-17-21-22-19(27-17)20-18(24)14-7-5-8-15(12-14)28(25,26)23-11-10-13-6-3-4-9-16(13)23/h3-9,12H,2,10-11H2,1H3,(H,20,22,24).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2999392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).