N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H20N4OS — CID 2343479

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1nncn1C
InChIInChI=1S/C15H20N4OS/c1-10(2)12-7-5-6-11(3)14(12)17-13(20)8-21-15-18-16-9-19(15)4/h5-7,9-10H,8H2,1-4H3,(H,17,20)
InChIKeyMIVWFAWOBMRZCS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2343479) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2343479
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1nncn1C
InChIInChI=1S/C15H20N4OS/c1-10(2)12-7-5-6-11(3)14(12)17-13(20)8-21-15-18-16-9-19(15)4/h5-7,9-10H,8H2,1-4H3,(H,17,20)
InChIKeyMIVWFAWOBMRZCS-UHFFFAOYSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide
CID 855732
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 859344
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 4842920
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(2-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 718726
1-(4-Acetyl-5-tridecylsulfanyl-4H-[1,2,4]triazol-3-yl)-3-(2,6-diisopropyl-phenyl)-urea
CID 10626346
N-(2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 701400
N-tert-butylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2241602
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-cyclohexyl-phenyl)-acetamide
CID 646068
N-(2-Ethyl-6-methyl-phenyl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 648314

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2343479) is N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1nncn1C.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MIVWFAWOBMRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)12-7-5-6-11(3)14(12)17-13(20)8-21-15-18-16-9-19(15)4/h5-7,9-10H,8H2,1-4H3,(H,17,20).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2343479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).