N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide

C24H23N5O2S — CID 22695929

IUPACN-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide
SMILESCc1sc2c(c1C)c(=O)[nH]c1c(C(=O)NC3CCCCC3)c3nc4ccccc4nc3n12
InChIInChI=1S/C24H23N5O2S/c1-12-13(2)32-24-17(12)22(30)28-20-18(23(31)25-14-8-4-3-5-9-14)19-21(29(20)24)27-16-11-7-6-10-15(16)26-19/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,25,31)(H,28,30)
InChIKeyQNJPFQMACCJDEL-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.62
Rot. Bonds2

About N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide

N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide (PubChem CID 22695929) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide
PubChem CID22695929
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide
SMILESCc1sc2c(c1C)c(=O)[nH]c1c(C(=O)NC3CCCCC3)c3nc4ccccc4nc3n12
InChIInChI=1S/C24H23N5O2S/c1-12-13(2)32-24-17(12)22(30)28-20-18(23(31)25-14-8-4-3-5-9-14)19-21(29(20)24)27-16-11-7-6-10-15(16)26-19/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,25,31)(H,28,30)
InChIKeyQNJPFQMACCJDEL-UHFFFAOYSA-N
XLogP4.62
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-6-iodo-9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3(8),4,6,11,13,15,17,19-nonaene-12-carboxamide
CID 22695925
N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 67030843
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
2-amino-N-cyclohexyl-1-[(E)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6888871
2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3770985
2-amino-N-cyclohexyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 135629332
2-amino-N-cyclohexyl-4,5-dimethylthiophene-3-carboxamide
CID 17371220
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide?
The IUPAC name of N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide (CID 22695929) is N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide.
What is the SMILES notation for N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide?
The canonical SMILES for N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide is Cc1sc2c(c1C)c(=O)[nH]c1c(C(=O)NC3CCCCC3)c3nc4ccccc4nc3n12.
What is the InChIKey of N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide?
The InChIKey is QNJPFQMACCJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-12-13(2)32-24-17(12)22(30)28-20-18(23(31)25-14-8-4-3-5-9-14)19-21(29(20)24)27-16-11-7-6-10-15(16)26-19/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,25,31)(H,28,30).
What are the key properties of N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide?
N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-dimethyl-8-oxo-4-thia-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),3(7),5,10,12,14,16,18-octaene-11-carboxamide is sourced from PubChem (CID 22695929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).