2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide

C16H20N4OS — CID 30422085

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCn1cnnc1SCC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H20N4OS/c1-20-12-18-19-15(20)22-10-14(21)17-11-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,21)
InChIKeyUBMYKDSLGSNUSX-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.15
Rot. Bonds6

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide (PubChem CID 30422085) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
PubChem CID30422085
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
SMILESCn1cnnc1SCC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H20N4OS/c1-20-12-18-19-15(20)22-10-14(21)17-11-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,21)
InChIKeyUBMYKDSLGSNUSX-UHFFFAOYSA-N
XLogP2.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55541677
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55745995
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55752674
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 71883611
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-phenylacetamide
CID 3618238
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31372285
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 55525095
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 36836569
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35453123

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide (CID 30422085) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide is Cn1cnnc1SCC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
The InChIKey is UBMYKDSLGSNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-12-18-19-15(20)22-10-14(21)17-11-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3,(H,17,21).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 30422085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).