2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide

C14H18N4OS — CID 4008461

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nn2cnnc2)cc1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)11-4-6-12(7-5-11)20-8-13(19)17-18-9-15-16-10-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyDZNNUSNHMOQMOM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.44
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide

2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 4008461) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID4008461
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nn2cnnc2)cc1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)11-4-6-12(7-5-11)20-8-13(19)17-18-9-15-16-10-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)
InChIKeyDZNNUSNHMOQMOM-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-tert-butylphenyl)sulfanyl-N-(3-hydroxypropyl)acetamide
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CID 35930229
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
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2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
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CID 119476399
2-(4-tert-butylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511892
N-[4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059347
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CID 2969914

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide (CID 4008461) is 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide is CC(C)(C)c1ccc(SCC(=O)Nn2cnnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is DZNNUSNHMOQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,3)11-4-6-12(7-5-11)20-8-13(19)17-18-9-15-16-10-18/h4-7,9-10H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 4008461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).