2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide

C18H19FN2O2S — CID 43016105

IUPAC2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c1-12-8-9-15(14(19)10-12)20-18(23)13-6-4-5-7-16(13)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyTYGWAMWAPWMCDD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds5

About 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide (PubChem CID 43016105) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
PubChem CID43016105
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)c(F)c1
InChIInChI=1S/C18H19FN2O2S/c1-12-8-9-15(14(19)10-12)20-18(23)13-6-4-5-7-16(13)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyTYGWAMWAPWMCDD-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 92614894
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 51289033
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 17469397
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide (CID 43016105) is 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)c(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide?
The InChIKey is TYGWAMWAPWMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12-8-9-15(14(19)10-12)20-18(23)13-6-4-5-7-16(13)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide?
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 43016105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).