2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide

C19H22FN3O2S — CID 9347230

IUPAC2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ccccn1
InChIInChI=1S/C19H22FN3O2S/c1-19(2,3)23(18(25)13-26-17-6-4-5-11-21-17)12-16(24)22-15-9-7-14(20)8-10-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVTNVOXRMWOPAOQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.58
Rot. Bonds6

About 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide

2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide (PubChem CID 9347230) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
PubChem CID9347230
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ccccn1
InChIInChI=1S/C19H22FN3O2S/c1-19(2,3)23(18(25)13-26-17-6-4-5-11-21-17)12-16(24)22-15-9-7-14(20)8-10-15/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyVTNVOXRMWOPAOQ-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
CID 9014971
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9286965
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-(4-fluorophenyl)-6-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 15980915

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide (CID 9347230) is 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide is CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ccccn1.
What is the InChIKey of 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is VTNVOXRMWOPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-19(2,3)23(18(25)13-26-17-6-4-5-11-21-17)12-16(24)22-15-9-7-14(20)8-10-15/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide?
2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9347230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).