(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

C24H35N3O2S — CID 129420233

IUPAC(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
SMILESCC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C24H35N3O2S/c1-15(2)9-11-27-22(28)20-13-21-19(10-12-30-21)26(20)14-24(27,5)23(29)25-18-8-6-7-16(3)17(18)4/h10,12-13,15-18H,6-9,11,14H2,1-5H3,(H,25,29)/t16-,17-,18-,24-/m1/s1
InChIKeyBLBIZLNLLRQJJB-FGDDKPPBSA-N
MW429.63 g/mol
LogP4.90
Rot. Bonds5

About (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

(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 (PubChem CID 129420233) has the molecular formula C24H35N3O2S and a molecular weight of 429.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129420233
Molecular FormulaC24H35N3O2S
Molecular Weight429.63 g/mol
Exact Mass429.24
IUPAC Name(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
SMILESCC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C
InChIInChI=1S/C24H35N3O2S/c1-15(2)9-11-27-22(28)20-13-21-19(10-12-30-21)26(20)14-24(27,5)23(29)25-18-8-6-7-16(3)17(18)4/h10,12-13,15-18H,6-9,11,14H2,1-5H3,(H,25,29)/t16-,17-,18-,24-/m1/s1
InChIKeyBLBIZLNLLRQJJB-FGDDKPPBSA-N
XLogP4.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

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
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-10-[(4-methoxyphenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420473
(11R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-11-methyl-10-(4-methylphenyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737126
(11R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-11-methyl-10-(4-methylphenyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737125
(11R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-11-methyl-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 92737146
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
(11R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-(4-propan-2-ylphenyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 98469839
N-(2,3-dimethylcyclohexyl)-10-(4-ethylphenyl)-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514612
(11R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420410
(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
(11S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-(pyridin-3-ylmethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 124772059
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C.
What is the InChIKey of (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?
The InChIKey is BLBIZLNLLRQJJB-FGDDKPPBSA-N. The full InChI is InChI=1S/C24H35N3O2S/c1-15(2)9-11-27-22(28)20-13-21-19(10-12-30-21)26(20)14-24(27,5)23(29)25-18-8-6-7-16(3)17(18)4/h10,12-13,15-18H,6-9,11,14H2,1-5H3,(H,25,29)/t16-,17-,18-,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 429.63 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129420233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).