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

C19H28N4OS — CID 648314

IUPACN-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C
InChIInChI=1S/C19H28N4OS/c1-6-11-23-18(13(3)4)21-22-19(23)25-12-16(24)20-17-14(5)9-8-10-15(17)7-2/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24)
InChIKeyDGFDVLQQLYWTSK-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.41
Rot. Bonds8

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

N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 648314) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID648314
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C
InChIInChI=1S/C19H28N4OS/c1-6-11-23-18(13(3)4)21-22-19(23)25-12-16(24)20-17-14(5)9-8-10-15(17)7-2/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24)
InChIKeyDGFDVLQQLYWTSK-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 648314) is N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DGFDVLQQLYWTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-6-11-23-18(13(3)4)21-22-19(23)25-12-16(24)20-17-14(5)9-8-10-15(17)7-2/h8-10,13H,6-7,11-12H2,1-5H3,(H,20,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 360.53 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 648314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).