2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C18H15F6NOS — CID 118035681

IUPAC2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NOS/c1-3-27-15-10-12(18(22,23)24)6-9-14(15)16(26)25(2)13-7-4-11(5-8-13)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyKMWUKYVFKIRMPK-UHFFFAOYSA-N
MW407.38 g/mol
LogP6.11
Rot. Bonds4

About 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide

2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 118035681) has the molecular formula C18H15F6NOS and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID118035681
Molecular FormulaC18H15F6NOS
Molecular Weight407.38 g/mol
Exact Mass407.08
IUPAC Name2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCSc1cc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NOS/c1-3-27-15-10-12(18(22,23)24)6-9-14(15)16(26)25(2)13-7-4-11(5-8-13)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyKMWUKYVFKIRMPK-UHFFFAOYSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377
2-ethylsulfanyl-N-prop-2-ynyl-4-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72944841
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
2-ethylsulfanyl-N-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)benzamide
CID 118535345
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
2-methylsulfanyl-4-(trifluoromethyl)benzoyl chloride
CID 15452082
4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
CID 143188892
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72944632
N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86828280
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 118035681) is 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is CCSc1cc(C(F)(F)F)ccc1C(=O)N(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KMWUKYVFKIRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NOS/c1-3-27-15-10-12(18(22,23)24)6-9-14(15)16(26)25(2)13-7-4-11(5-8-13)17(19,20)21/h4-10H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 407.38 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118035681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).