N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

C24H26FN3O2S — CID 53033718

IUPACN-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C24H26FN3O2S/c1-24(23(30)26-18-8-3-2-4-9-18)15-27-20(13-16-11-12-31-22(16)27)21(29)28(24)14-17-7-5-6-10-19(17)25/h5-7,10-13,18H,2-4,8-9,14-15H2,1H3,(H,26,30)
InChIKeyLOGDHOUYZQFGJI-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.71
Rot. Bonds4

About N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide (PubChem CID 53033718) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
PubChem CID53033718
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC NameN-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C24H26FN3O2S/c1-24(23(30)26-18-8-3-2-4-9-18)15-27-20(13-16-11-12-31-22(16)27)21(29)28(24)14-17-7-5-6-10-19(17)25/h5-7,10-13,18H,2-4,8-9,14-15H2,1H3,(H,26,30)
InChIKeyLOGDHOUYZQFGJI-UHFFFAOYSA-N
XLogP4.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-10-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033714
N-cyclooctyl-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 22514690
(11R)-N-cyclopentyl-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 92737308
N-cyclooctyl-2-[(2-fluorophenyl)methyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523437
N-cyclohexyl-11-methyl-9-oxo-10-(3-phenylpropyl)-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033707
(6R)-N-cyclopentyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062748
(11S)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501296
(11R)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501297
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739877
(3R)-N-cyclooctyl-2-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704985
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92740773
(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738834

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The IUPAC name of N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide (CID 53033718) is N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide.
What is the SMILES notation for N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The canonical SMILES for N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1F.
What is the InChIKey of N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The InChIKey is LOGDHOUYZQFGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c1-24(23(30)26-18-8-3-2-4-9-18)15-27-20(13-16-11-12-31-22(16)27)21(29)28(24)14-17-7-5-6-10-19(17)25/h5-7,10-13,18H,2-4,8-9,14-15H2,1H3,(H,26,30).
What are the key properties of N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide is sourced from PubChem (CID 53033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).