N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

C18H18F2N2O2S — CID 55346201

IUPACN-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C18H18F2N2O2S/c1-11-7-12(2)9-13(8-11)17(24)21-10-16(23)22-14-3-5-15(6-4-14)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTJINPZKKKKDBV-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 55346201) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID55346201
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C18H18F2N2O2S/c1-11-7-12(2)9-13(8-11)17(24)21-10-16(23)22-14-3-5-15(6-4-14)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUTJINPZKKKKDBV-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55314344
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155945580
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 55346201) is N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is UTJINPZKKKKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-11-7-12(2)9-13(8-11)17(24)21-10-16(23)22-14-3-5-15(6-4-14)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 55346201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).