N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C20H23N3O2S — CID 2053979

IUPACN-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)C1CCCCC1
InChIInChI=1S/C20H23N3O2S/c1-3-22(14-9-5-4-6-10-14)20(25)16-12-15-18(26-16)21-17-13(2)8-7-11-23(17)19(15)24/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyTXYMNQAEHHBTLE-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.01
Rot. Bonds3

About N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 2053979) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID2053979
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)C1CCCCC1
InChIInChI=1S/C20H23N3O2S/c1-3-22(14-9-5-4-6-10-14)20(25)16-12-15-18(26-16)21-17-13(2)8-7-11-23(17)19(15)24/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyTXYMNQAEHHBTLE-UHFFFAOYSA-N
XLogP4.01
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 2053979) is N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is TXYMNQAEHHBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-22(14-9-5-4-6-10-14)20(25)16-12-15-18(26-16)21-17-13(2)8-7-11-23(17)19(15)24/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 2053979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).