N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H26N4OS — CID 651975

IUPACN-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C
InChIInChI=1S/C18H26N4OS/c1-6-10-22-17(12(2)3)20-21-18(22)24-11-15(23)19-16-13(4)8-7-9-14(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,19,23)
InChIKeyNYMCZQMSEFYSMW-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.16
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 651975) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID651975
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C
InChIInChI=1S/C18H26N4OS/c1-6-10-22-17(12(2)3)20-21-18(22)24-11-15(23)19-16-13(4)8-7-9-14(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,19,23)
InChIKeyNYMCZQMSEFYSMW-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 651975) is N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NYMCZQMSEFYSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-6-10-22-17(12(2)3)20-21-18(22)24-11-15(23)19-16-13(4)8-7-9-14(16)5/h7-9,12H,6,10-11H2,1-5H3,(H,19,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 651975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).