11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C23H27N3O3S — CID 46272207

IUPAC11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1CCC(NC(=O)C2(C)Cn3c(cc4occc43)C(=O)N2Cc2cccs2)CC1
InChIInChI=1S/C23H27N3O3S/c1-15-5-7-16(8-6-15)24-22(28)23(2)14-25-18-9-10-29-20(18)12-19(25)21(27)26(23)13-17-4-3-11-30-17/h3-4,9-12,15-16H,5-8,13-14H2,1-2H3,(H,24,28)
InChIKeySZBUEWRQGSHRCO-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.41
Rot. Bonds4

About 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 46272207) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID46272207
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1CCC(NC(=O)C2(C)Cn3c(cc4occc43)C(=O)N2Cc2cccs2)CC1
InChIInChI=1S/C23H27N3O3S/c1-15-5-7-16(8-6-15)24-22(28)23(2)14-25-18-9-10-29-20(18)12-19(25)21(27)26(23)13-17-4-3-11-30-17/h3-4,9-12,15-16H,5-8,13-14H2,1-2H3,(H,24,28)
InChIKeySZBUEWRQGSHRCO-UHFFFAOYSA-N
XLogP4.41
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 46272207) is 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1CCC(NC(=O)C2(C)Cn3c(cc4occc43)C(=O)N2Cc2cccs2)CC1.
What is the InChIKey of 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is SZBUEWRQGSHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-15-5-7-16(8-6-15)24-22(28)23(2)14-25-18-9-10-29-20(18)12-19(25)21(27)26(23)13-17-4-3-11-30-17/h3-4,9-12,15-16H,5-8,13-14H2,1-2H3,(H,24,28).
What are the key properties of 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(4-methylcyclohexyl)-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 46272207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).