2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide

C16H20N4OS — CID 136554126

IUPAC2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide
SMILESCSCC1(CC(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1
InChIInChI=1S/C16H20N4OS/c1-20-10-14(18-19-20)12-4-3-5-13(8-12)17-15(21)9-16(6-7-16)11-22-2/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,17,21)
InChIKeyVEWPLXMEPGEBRG-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.95
Rot. Bonds6

About 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide

2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide (PubChem CID 136554126) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide
PubChem CID136554126
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide
SMILESCSCC1(CC(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1
InChIInChI=1S/C16H20N4OS/c1-20-10-14(18-19-20)12-4-3-5-13(8-12)17-15(21)9-16(6-7-16)11-22-2/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,17,21)
InChIKeyVEWPLXMEPGEBRG-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-hydroxy-N-[3-(1-methyltriazol-4-yl)phenyl]-2-nitrosobut-2-enamide
CID 166845130
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
1-[4-(benzotriazol-1-yl)phenyl]-3-[3-(1-methyltriazol-4-yl)phenyl]urea
CID 167981173
N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107022124
3-(1-methyltriazol-4-yl)aniline
CID 89194018
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
4-[2-[3-(1-methyltriazol-4-yl)phenyl]ethoxy]butan-2-one
CID 59290487
1-methyl-N-(3-pyrimidin-5-ylphenyl)triazole-4-carboxamide
CID 110461980
3-bromo-1-(3-chloro-2-pyridinyl)-N-[3-(1-methyltriazol-4-yl)phenyl]pyrazole-5-carboxamide
CID 154868706
2-[[3-(1-methyltriazol-4-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146143577

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide (CID 136554126) is 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide is CSCC1(CC(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1.
What is the InChIKey of 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide?
The InChIKey is VEWPLXMEPGEBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-10-14(18-19-20)12-4-3-5-13(8-12)17-15(21)9-16(6-7-16)11-22-2/h3-5,8,10H,6-7,9,11H2,1-2H3,(H,17,21).
What are the key properties of 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide?
2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfanylmethyl)cyclopropyl]-N-[3-(1-methyltriazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 136554126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).