8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide

C24H24N2O2S2 — CID 71162311

IUPAC8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide
SMILESCc1cc2c(s1)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1ccsc1-2
InChIInChI=1S/C24H24N2O2S2/c1-15-13-19-21-18(11-12-29-21)24(28)26(14-16-7-3-2-4-8-16)20(22(19)30-15)23(27)25-17-9-5-6-10-17/h2-4,7-8,11-13,17,20H,5-6,9-10,14H2,1H3,(H,25,27)
InChIKeyUHDWHXXCRULHJC-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.54
Rot. Bonds4

About 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide

8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide (PubChem CID 71162311) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide.

Molecular Properties

Compound Name8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide
PubChem CID71162311
Molecular FormulaC24H24N2O2S2
Molecular Weight436.60 g/mol
Exact Mass436.13
IUPAC Name8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide
SMILESCc1cc2c(s1)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1ccsc1-2
InChIInChI=1S/C24H24N2O2S2/c1-15-13-19-21-18(11-12-29-21)24(28)26(14-16-7-3-2-4-8-16)20(22(19)30-15)23(27)25-17-9-5-6-10-17/h2-4,7-8,11-13,17,20H,5-6,9-10,14H2,1H3,(H,25,27)
InChIKeyUHDWHXXCRULHJC-UHFFFAOYSA-N
XLogP5.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide?
The IUPAC name of 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide (CID 71162311) is 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide.
What is the SMILES notation for 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide?
The canonical SMILES for 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide is Cc1cc2c(s1)C(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1ccsc1-2.
What is the InChIKey of 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide?
The InChIKey is UHDWHXXCRULHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c1-15-13-19-21-18(11-12-29-21)24(28)26(14-16-7-3-2-4-8-16)20(22(19)30-15)23(27)25-17-9-5-6-10-17/h2-4,7-8,11-13,17,20H,5-6,9-10,14H2,1H3,(H,25,27).
What are the key properties of 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide?
8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-cyclopentyl-12-methyl-7-oxo-3,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-9-carboxamide is sourced from PubChem (CID 71162311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).