N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C15H20N4O2S — CID 2521107

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C15H20N4O2S/c1-15(2,3)10-5-6-12(21-4)11(7-10)18-13(20)8-22-14-16-9-17-19-14/h5-7,9H,8H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyUGUCBVCMGLJRRA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.84
Rot. Bonds5

About N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2521107) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2521107
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C15H20N4O2S/c1-15(2,3)10-5-6-12(21-4)11(7-10)18-13(20)8-22-14-16-9-17-19-14/h5-7,9H,8H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyUGUCBVCMGLJRRA-UHFFFAOYSA-N
XLogP2.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxyphenyl)-2-(1H-1,2,4-triazol-3-ylthio)acetamide
CID 2254375
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971791
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2352685
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 2102209
N-(2-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 3152989
6-[(2S)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanimidoyl]-4H-1,4-benzoxazin-3-one
CID 155565054
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 796221
N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 2472603
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-acetamide
CID 3228982
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 4878989
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2521107) is N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is UGUCBVCMGLJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15(2,3)10-5-6-12(21-4)11(7-10)18-13(20)8-22-14-16-9-17-19-14/h5-7,9H,8H2,1-4H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2521107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).