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

C14H18N4OS — CID 2241602

IUPACN-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)10-4-6-11(7-5-10)17-12(19)8-20-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyZEWCVPOGOOSEKJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds4

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

N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2241602) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2241602
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)10-4-6-11(7-5-10)17-12(19)8-20-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyZEWCVPOGOOSEKJ-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2993112
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-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 718726
1-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
CID 2878813
1-(3-methylphenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)pyrrolidine-2,5-dione
CID 3125499
2-(4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-cyclohexyl-phenyl)-acetamide
CID 646068
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684398
N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 684400
N-(2,4-dimethylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857567
N-[4-(acetylamino)phenyl]-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2223265

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2241602) is N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CC(C)(C)c1ccc(NC(=O)CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ZEWCVPOGOOSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,3)10-4-6-11(7-5-10)17-12(19)8-20-13-15-9-16-18-13/h4-7,9H,8H2,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2241602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).