(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H35N3O3S — CID 129420356

IUPAC(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C24H35N3O3S/c1-16(2)30-12-7-11-27-22(28)20-14-21-19(10-13-31-21)26(20)15-24(27,4)23(29)25-18-9-6-5-8-17(18)3/h10,13-14,16-18H,5-9,11-12,15H2,1-4H3,(H,25,29)/t17-,18-,24-/m1/s1
InChIKeyNZMGZIJFAYGAPN-QZTZHPFYSA-N
MW445.63 g/mol
LogP4.43
Rot. Bonds7

About (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 129420356) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID129420356
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C24H35N3O3S/c1-16(2)30-12-7-11-27-22(28)20-14-21-19(10-13-31-21)26(20)15-24(27,4)23(29)25-18-9-6-5-8-17(18)3/h10,13-14,16-18H,5-9,11-12,15H2,1-4H3,(H,25,29)/t17-,18-,24-/m1/s1
InChIKeyNZMGZIJFAYGAPN-QZTZHPFYSA-N
XLogP4.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-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

Related Compounds

(11R)-10-(3-ethoxypropyl)-11-methyl-N-[(1R,2S)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737226
10-(2-methoxyethyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756265
11-methyl-N-(2-methylcyclohexyl)-9-oxo-10-propyl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756252
11-methyl-N-(2-methylcyclohexyl)-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46271481
10-[2-[cyclohexyl(methyl)amino]ethyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 143130647
N-cyclopentyl-10-(3-methoxypropyl)-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514646
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-11-methyl-10-(3-methylbutyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420233
(11R)-10-benzyl-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737169
(11S)-10-[(4-fluorophenyl)methyl]-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 93308426
(11R)-10-benzyl-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737171
(11R)-11-methyl-N-[(1R,2S)-2-methylcyclohexyl]-10-[(2-methylphenyl)methyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737264
(11R)-11-methyl-N-[(1S,2S)-2-methylcyclohexyl]-10-[(2-methylphenyl)methyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737262

Frequently Asked Questions

What is the IUPAC name of (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 129420356) is (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC(C)OCCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is NZMGZIJFAYGAPN-QZTZHPFYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-16(2)30-12-7-11-27-22(28)20-14-21-19(10-13-31-21)26(20)15-24(27,4)23(29)25-18-9-6-5-8-17(18)3/h10,13-14,16-18H,5-9,11-12,15H2,1-4H3,(H,25,29)/t17-,18-,24-/m1/s1.
What are the key properties of (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 445.63 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-10-(3-propan-2-yloxypropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 129420356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).