N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide

C22H32N4O2S — CID 71898727

IUPACN-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide
SMILESCC(C)C(Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H32N4O2S/c1-15(2)19(21(27)25(3)17-8-5-4-6-9-17)29-22-24-23-20(16-11-12-16)26(22)14-18-10-7-13-28-18/h7,10,13,15-17,19H,4-6,8-9,11-12,14H2,1-3H3
InChIKeyPFYHTZWTAFFRHL-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.70
Rot. Bonds8

About N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide

N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide (PubChem CID 71898727) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide
PubChem CID71898727
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC NameN-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide
SMILESCC(C)C(Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H32N4O2S/c1-15(2)19(21(27)25(3)17-8-5-4-6-9-17)29-22-24-23-20(16-11-12-16)26(22)14-18-10-7-13-28-18/h7,10,13,15-17,19H,4-6,8-9,11-12,14H2,1-3H3
InChIKeyPFYHTZWTAFFRHL-UHFFFAOYSA-N
XLogP4.70
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide with MolForge

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Related Compounds

3-(cyclohexylmethylsulfanyl)-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 78764395
4-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzamide
CID 78764169
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 46621354
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 78764172
1-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78764705
(2S)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 51968185
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 21373939
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 17489291
N-(4-butan-2-ylphenyl)-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112785909
N-cyclohexyl-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 2476900
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45352499
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 42974272

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide?
The IUPAC name of N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide (CID 71898727) is N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide is CC(C)C(Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide?
The InChIKey is PFYHTZWTAFFRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-15(2)19(21(27)25(3)17-8-5-4-6-9-17)29-22-24-23-20(16-11-12-16)26(22)14-18-10-7-13-28-18/h7,10,13,15-17,19H,4-6,8-9,11-12,14H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide?
N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide has a molecular weight of 416.59 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 71898727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).