2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

C17H16ClFN2O2S — CID 1193965

IUPAC2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2S/c1-11-8-12(18)2-7-15(11)21-17(23)10-24-9-16(22)20-14-5-3-13(19)4-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyDEXGYWAQMKKJQJ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.10
Rot. Bonds6

About 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 1193965) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID1193965
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC Name2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O2S/c1-11-8-12(18)2-7-15(11)21-17(23)10-24-9-16(22)20-14-5-3-13(19)4-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyDEXGYWAQMKKJQJ-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N-(4-chloro-2-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109008626
methyl 5-chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 66877283
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 1193965) is 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is DEXGYWAQMKKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-11-8-12(18)2-7-15(11)21-17(23)10-24-9-16(22)20-14-5-3-13(19)4-6-14/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1193965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).