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

C19H28N4OS — CID 645927

IUPACN-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC
InChIInChI=1S/C19H28N4OS/c1-6-14-10-9-11-15(7-2)17(14)20-16(24)12-25-19-22-21-18(13(4)5)23(19)8-3/h9-11,13H,6-8,12H2,1-5H3,(H,20,24)
InChIKeyHDKCHBKLSJBNRA-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.28
Rot. Bonds8

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

N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 645927) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID645927
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC
InChIInChI=1S/C19H28N4OS/c1-6-14-10-9-11-15(7-2)17(14)20-16(24)12-25-19-22-21-18(13(4)5)23(19)8-3/h9-11,13H,6-8,12H2,1-5H3,(H,20,24)
InChIKeyHDKCHBKLSJBNRA-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 645927) is N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HDKCHBKLSJBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-6-14-10-9-11-15(7-2)17(14)20-16(24)12-25-19-22-21-18(13(4)5)23(19)8-3/h9-11,13H,6-8,12H2,1-5H3,(H,20,24).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 360.53 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 645927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).