2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide

C17H17F3N2OS — CID 118035480

IUPAC2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide
SMILESCCc1c(S)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC
InChIInChI=1S/C17H17F3N2OS/c1-3-11-12(5-4-6-15(11)24)16(23)22-14-9-10(17(18,19)20)7-8-13(14)21-2/h4-9,21,24H,3H2,1-2H3,(H,22,23)
InChIKeyCWHPEHCVKWUGGK-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.85
Rot. Bonds4

About 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide

2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide (PubChem CID 118035480) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide
PubChem CID118035480
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide
SMILESCCc1c(S)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC
InChIInChI=1S/C17H17F3N2OS/c1-3-11-12(5-4-6-15(11)24)16(23)22-14-9-10(17(18,19)20)7-8-13(14)21-2/h4-9,21,24H,3H2,1-2H3,(H,22,23)
InChIKeyCWHPEHCVKWUGGK-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
CID 135296532
2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
CID 146093858
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide
CID 137471598
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-[3-carbamoyl-4-(methylamino)phenyl]-6-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 172617672
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119707017

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide?
The IUPAC name of 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide (CID 118035480) is 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide.
What is the SMILES notation for 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide?
The canonical SMILES for 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide is CCc1c(S)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC.
What is the InChIKey of 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide?
The InChIKey is CWHPEHCVKWUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c1-3-11-12(5-4-6-15(11)24)16(23)22-14-9-10(17(18,19)20)7-8-13(14)21-2/h4-9,21,24H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide?
2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide has a molecular weight of 354.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide is sourced from PubChem (CID 118035480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).