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

C18H16N4O3S2 — CID 2441045

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C18H16N4O3S2/c1-12-20-21-18(26-12)19-17(23)14-6-4-7-15(11-14)27(24,25)22-10-9-13-5-2-3-8-16(13)22/h2-8,11H,9-10H2,1H3,(H,19,21,23)
InChIKeyGCIREYQDFHGYPQ-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.85
Rot. Bonds4

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2441045) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2441045
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1
InChIInChI=1S/C18H16N4O3S2/c1-12-20-21-18(26-12)19-17(23)14-6-4-7-15(11-14)27(24,25)22-10-9-13-5-2-3-8-16(13)22/h2-8,11H,9-10H2,1H3,(H,19,21,23)
InChIKeyGCIREYQDFHGYPQ-UHFFFAOYSA-N
XLogP2.85
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.85
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-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2441045) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GCIREYQDFHGYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c1-12-20-21-18(26-12)19-17(23)14-6-4-7-15(11-14)27(24,25)22-10-9-13-5-2-3-8-16(13)22/h2-8,11H,9-10H2,1H3,(H,19,21,23).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 400.49 g/mol, XLogP of 2.85, 4 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-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2441045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).