N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C22H31N5O2S — CID 112787062

IUPACN-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC2CCCCC2C)nnc1-c1cccc(C)c1
InChIInChI=1S/C22H31N5O2S/c1-4-12-27-20(17-10-7-8-15(2)13-17)25-26-22(27)30-14-19(28)24-21(29)23-18-11-6-5-9-16(18)3/h7-8,10,13,16,18H,4-6,9,11-12,14H2,1-3H3,(H2,23,24,28,29)
InChIKeyMNXQHPZKEIGVFI-UHFFFAOYSA-N
MW429.59 g/mol
LogP4.16
Rot. Bonds7

About N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 112787062) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID112787062
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC(=O)NC2CCCCC2C)nnc1-c1cccc(C)c1
InChIInChI=1S/C22H31N5O2S/c1-4-12-27-20(17-10-7-8-15(2)13-17)25-26-22(27)30-14-19(28)24-21(29)23-18-11-6-5-9-16(18)3/h7-8,10,13,16,18H,4-6,9,11-12,14H2,1-3H3,(H2,23,24,28,29)
InChIKeyMNXQHPZKEIGVFI-UHFFFAOYSA-N
XLogP4.16
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1455909
2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7724108
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 1130303
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 31273615
N-(cyclohexylcarbamoyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112782120
2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 18077426
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6599965
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8630507
(2R)-N-(cyclohexylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7528427
2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 51141954
N-(2,6-dichlorophenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18207852
N-(2,3-dimethylphenyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7528499

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 112787062) is N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCCn1c(SCC(=O)NC(=O)NC2CCCCC2C)nnc1-c1cccc(C)c1.
What is the InChIKey of N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is MNXQHPZKEIGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-4-12-27-20(17-10-7-8-15(2)13-17)25-26-22(27)30-14-19(28)24-21(29)23-18-11-6-5-9-16(18)3/h7-8,10,13,16,18H,4-6,9,11-12,14H2,1-3H3,(H2,23,24,28,29).
What are the key properties of N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)carbamoyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 112787062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).