(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

C22H33N5OS — CID 8739218

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
SMILESC=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1C1CCCCC1
InChIInChI=1S/C22H33N5OS/c1-4-15-27-19(18-11-7-5-8-12-18)24-25-21(27)29-17(2)20(28)26(3)22(16-23)13-9-6-10-14-22/h4,17-18H,1,5-15H2,2-3H3/t17-/m1/s1
InChIKeyCPFUTTVFWUOOSI-QGZVFWFLSA-N
MW415.61 g/mol
LogP4.68
Rot. Bonds7

About (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide (PubChem CID 8739218) has the molecular formula C22H33N5OS and a molecular weight of 415.61 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
PubChem CID8739218
Molecular FormulaC22H33N5OS
Molecular Weight415.61 g/mol
Exact Mass415.24
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
SMILESC=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1C1CCCCC1
InChIInChI=1S/C22H33N5OS/c1-4-15-27-19(18-11-7-5-8-12-18)24-25-21(27)29-17(2)20(28)26(3)22(16-23)13-9-6-10-14-22/h4,17-18H,1,5-15H2,2-3H3/t17-/m1/s1
InChIKeyCPFUTTVFWUOOSI-QGZVFWFLSA-N
XLogP4.68
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide 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

(2R)-N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 8959675
(2S)-N-ethyl-N-methyl-2-[(5-piperidin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 126447723
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 46618748
(2S)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 40701987
N-(2-cyanopropan-2-yl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 8849427
N-cyclohexyl-N-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78764133
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 16502682
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 16502715
(2S)-N-cyclopentyl-2-[(5-piperidin-4-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 126438872
N-tert-butyl-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51234598
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78764369
2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16502730

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide (CID 8739218) is (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide is C=CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1C1CCCCC1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
The InChIKey is CPFUTTVFWUOOSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H33N5OS/c1-4-15-27-19(18-11-7-5-8-12-18)24-25-21(27)29-17(2)20(28)26(3)22(16-23)13-9-6-10-14-22/h4,17-18H,1,5-15H2,2-3H3/t17-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide has a molecular weight of 415.61 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide is sourced from PubChem (CID 8739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).