N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C11H12N4O2S — CID 6492802

IUPACN-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1
InChIInChI=1S/C11H12N4O2S/c1-17-9-4-2-8(3-5-9)13-10(16)7-18-11-6-12-15-14-11/h2-6H,7H2,1H3,(H,13,16)(H,12,14,15)
InChIKeySDPBONWZRMKOHO-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.54
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6492802) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6492802
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cn[nH]n2)cc1
InChIInChI=1S/C11H12N4O2S/c1-17-9-4-2-8(3-5-9)13-10(16)7-18-11-6-12-15-14-11/h2-6H,7H2,1H3,(H,13,16)(H,12,14,15)
InChIKeySDPBONWZRMKOHO-UHFFFAOYSA-N
XLogP1.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6460388
N-(2-ethoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6460612
N-(2,4-Dimethoxy-phenyl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
CID 6460240
N-(3,4-Dimethoxy-phenyl)-2-(3H-[1,2,3]triazol-4-ylsulfanyl)-acetamide
CID 6460661
2-{[1-(2-ethoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-N-(propan-2-yl)acetamide
CID 16649461
2-{[1-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
CID 16649464
1-(2-methoxyphenyl)-3-(2H-triazol-4-ylsulfanyl)pyrrolidin-2-one
CID 121529318
2-(1H-1,2,3-triazol-5-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
N-{4-[chloro(difluoro)methoxy]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 71710605
N-[4-(difluoromethoxy)-2-methylphenyl]-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
CID 73254483
1-[4-(difluoromethoxy)phenyl]-3-(2H-triazol-4-ylsulfanyl)piperidin-2-one
CID 121568767
(3S)-1-[4-(difluoromethoxy)phenyl]-3-(2H-triazol-4-ylsulfanyl)piperidin-2-one
CID 124591851

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6492802) is N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2cn[nH]n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is SDPBONWZRMKOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-17-9-4-2-8(3-5-9)13-10(16)7-18-11-6-12-15-14-11/h2-6H,7H2,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6492802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).