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

C24H29N3O3S — CID 46272332

IUPACN-cycloheptyl-4,11-dimethyl-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(Cc2cccs2)C3=O)o1
InChIInChI=1S/C24H29N3O3S/c1-16-12-19-21(30-16)13-20-22(28)27(14-18-10-7-11-31-18)24(2,15-26(19)20)23(29)25-17-8-5-3-4-6-9-17/h7,10-13,17H,3-6,8-9,14-15H2,1-2H3,(H,25,29)
InChIKeyRMSJFFQVKHMOAM-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.86
Rot. Bonds4

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

N-cycloheptyl-4,11-dimethyl-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 46272332) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-cycloheptyl-4,11-dimethyl-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 NameN-cycloheptyl-4,11-dimethyl-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 CID46272332
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-cycloheptyl-4,11-dimethyl-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(Cc2cccs2)C3=O)o1
InChIInChI=1S/C24H29N3O3S/c1-16-12-19-21(30-16)13-20-22(28)27(14-18-10-7-11-31-18)24(2,15-26(19)20)23(29)25-17-8-5-3-4-6-9-17/h7,10-13,17H,3-6,8-9,14-15H2,1-2H3,(H,25,29)
InChIKeyRMSJFFQVKHMOAM-UHFFFAOYSA-N
XLogP4.86
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-4,11-dimethyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,11-dimethyl-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 N-cycloheptyl-4,11-dimethyl-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 46272332) is N-cycloheptyl-4,11-dimethyl-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 N-cycloheptyl-4,11-dimethyl-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 N-cycloheptyl-4,11-dimethyl-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 Cc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCC2)N(Cc2cccs2)C3=O)o1.
What is the InChIKey of N-cycloheptyl-4,11-dimethyl-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 RMSJFFQVKHMOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16-12-19-21(30-16)13-20-22(28)27(14-18-10-7-11-31-18)24(2,15-26(19)20)23(29)25-17-8-5-3-4-6-9-17/h7,10-13,17H,3-6,8-9,14-15H2,1-2H3,(H,25,29).
What are the key properties of N-cycloheptyl-4,11-dimethyl-9-oxo-10-(thiophen-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
N-cycloheptyl-4,11-dimethyl-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 439.58 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,11-dimethyl-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 46272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).