N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

C18H19FN2O2S — CID 7228913

IUPACN-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2O2S/c1-12-4-3-5-16(13(12)2)21-17(22)10-20-18(23)11-24-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPCBZRSVDHHAEKB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.29
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (PubChem CID 7228913) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
PubChem CID7228913
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CSc2ccc(F)cc2)c1C
InChIInChI=1S/C18H19FN2O2S/c1-12-4-3-5-16(13(12)2)21-17(22)10-20-18(23)11-24-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPCBZRSVDHHAEKB-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 24681883
N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24604792
N-(2,3-dimethylphenyl)-2-[[2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 16514091
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
4-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786329
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
CID 24681848
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9055689
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (CID 7228913) is N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is Cc1cccc(NC(=O)CNC(=O)CSc2ccc(F)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is PCBZRSVDHHAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12-4-3-5-16(13(12)2)21-17(22)10-20-18(23)11-24-15-8-6-14(19)7-9-15/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 7228913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).