2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H16F3N3O3S — CID 46633568

IUPAC2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)26-12-7-5-11(6-8-12)23-16(25)9-22-13-3-1-2-4-14(13)27-10-15(21)24/h1-8,22H,9-10H2,(H2,21,24)(H,23,25)
InChIKeyJFSMBBLNIKKUCE-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.21
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 46633568) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID46633568
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)26-12-7-5-11(6-8-12)23-16(25)9-22-13-3-1-2-4-14(13)27-10-15(21)24/h1-8,22H,9-10H2,(H2,21,24)(H,23,25)
InChIKeyJFSMBBLNIKKUCE-UHFFFAOYSA-N
XLogP3.21
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
CID 25380755
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 700874
N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538030
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
[4-(trifluoromethoxy)phenyl]urea
CID 2779224

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 46633568) is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide is NC(=O)CSc1ccccc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is JFSMBBLNIKKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)26-12-7-5-11(6-8-12)23-16(25)9-22-13-3-1-2-4-14(13)27-10-15(21)24/h1-8,22H,9-10H2,(H2,21,24)(H,23,25).
What are the key properties of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 399.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46633568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).