2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide

C20H34N4O3S — CID 140731592

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide
SMILESCC(C)C1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)O1
InChIInChI=1S/C20H34N4O3S/c1-11(2)18-23-24-20(27-18)22-17(26)15-7-8-28-19(15)21-16(25)14-9-12-5-3-4-6-13(12)10-14/h11-15,18-20,23-24H,3-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWHUKBKVXAKTKOE-UHFFFAOYSA-N
MW410.58 g/mol
LogP1.90
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide (PubChem CID 140731592) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide
PubChem CID140731592
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide
SMILESCC(C)C1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)O1
InChIInChI=1S/C20H34N4O3S/c1-11(2)18-23-24-20(27-18)22-17(26)15-7-8-28-19(15)21-16(25)14-9-12-5-3-4-6-13(12)10-14/h11-15,18-20,23-24H,3-10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyWHUKBKVXAKTKOE-UHFFFAOYSA-N
XLogP1.90
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide (CID 140731592) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide is CC(C)C1NNC(NC(=O)C2CCSC2NC(=O)C2CC3CCCCC3C2)O1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide?
The InChIKey is WHUKBKVXAKTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-11(2)18-23-24-20(27-18)22-17(26)15-7-8-28-19(15)21-16(25)14-9-12-5-3-4-6-13(12)10-14/h11-15,18-20,23-24H,3-10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonylamino)-N-(5-propan-2-yl-1,3,4-oxadiazolidin-2-yl)thiolane-3-carboxamide is sourced from PubChem (CID 140731592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).