N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C22H25N5OS — CID 55389475

IUPACN-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)N(Cc2cccnc2)C2CC2)nnc1-c1ccccc1C
InChIInChI=1S/C22H25N5OS/c1-3-26-21(19-9-5-4-7-16(19)2)24-25-22(26)29-15-20(28)27(18-10-11-18)14-17-8-6-12-23-13-17/h4-9,12-13,18H,3,10-11,14-15H2,1-2H3
InChIKeyKOERZFPRQLURRZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.95
Rot. Bonds8

About N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide

N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 55389475) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID55389475
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCn1c(SCC(=O)N(Cc2cccnc2)C2CC2)nnc1-c1ccccc1C
InChIInChI=1S/C22H25N5OS/c1-3-26-21(19-9-5-4-7-16(19)2)24-25-22(26)29-15-20(28)27(18-10-11-18)14-17-8-6-12-23-13-17/h4-9,12-13,18H,3,10-11,14-15H2,1-2H3
InChIKeyKOERZFPRQLURRZ-UHFFFAOYSA-N
XLogP3.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-benzhydryl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 24574107
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30317126
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1308693
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 78774478
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 36714398
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 71943250
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 112812136
2-[ethyl-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 24576230
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 34014824
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 112785520

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 55389475) is N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is CCn1c(SCC(=O)N(Cc2cccnc2)C2CC2)nnc1-c1ccccc1C.
What is the InChIKey of N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KOERZFPRQLURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-3-26-21(19-9-5-4-7-16(19)2)24-25-22(26)29-15-20(28)27(18-10-11-18)14-17-8-6-12-23-13-17/h4-9,12-13,18H,3,10-11,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 407.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 55389475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).