N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C24H24N4O2S3 — CID 2823503

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(SCC(=O)NC2Cc3ccccc3C2)s1)NC1Cc2ccccc2C1
InChIInChI=1S/C24H24N4O2S3/c29-21(25-19-9-15-5-1-2-6-16(15)10-19)13-31-23-27-28-24(33-23)32-14-22(30)26-20-11-17-7-3-4-8-18(17)12-20/h1-8,19-20H,9-14H2,(H,25,29)(H,26,30)
InChIKeyVJSZTINJCVSMCW-UHFFFAOYSA-N
MW496.68 g/mol
LogP3.29
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2823503) has the molecular formula C24H24N4O2S3 and a molecular weight of 496.68 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2823503
Molecular FormulaC24H24N4O2S3
Molecular Weight496.68 g/mol
Exact Mass496.11
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(SCC(=O)NC2Cc3ccccc3C2)s1)NC1Cc2ccccc2C1
InChIInChI=1S/C24H24N4O2S3/c29-21(25-19-9-15-5-1-2-6-16(15)10-19)13-31-23-27-28-24(33-23)32-14-22(30)26-20-11-17-7-3-4-8-18(17)12-20/h1-8,19-20H,9-14H2,(H,25,29)(H,26,30)
InChIKeyVJSZTINJCVSMCW-UHFFFAOYSA-N
XLogP3.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

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CID 153368411
CID 153368411
N-[(1R)-1-cyclopropylethyl]-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40795223
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2823503) is N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(SCC(=O)NC2Cc3ccccc3C2)s1)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VJSZTINJCVSMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S3/c29-21(25-19-9-15-5-1-2-6-16(15)10-19)13-31-23-27-28-24(33-23)32-14-22(30)26-20-11-17-7-3-4-8-18(17)12-20/h1-8,19-20H,9-14H2,(H,25,29)(H,26,30).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 496.68 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[[5-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).