2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C19H20F2N2O2S — CID 9221151

IUPAC2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H20F2N2O2S/c1-12-4-3-5-15(8-12)23-19(25)11-26-10-18(24)22-13(2)16-7-6-14(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyFGEVRLYWDIJGPO-ZDUSSCGKSA-N
MW378.44 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 9221151) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID9221151
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H20F2N2O2S/c1-12-4-3-5-15(8-12)23-19(25)11-26-10-18(24)22-13(2)16-7-6-14(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyFGEVRLYWDIJGPO-ZDUSSCGKSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51150351
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
N-(3-methylphenyl)-2-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9437356
2-[2-[4-(3,4-difluorophenyl)butan-2-ylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 86894221
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7684289
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
N-(3-methylphenyl)-2-[2-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
CID 43066568
N-[1-(2,4-difluorophenyl)ethyl]-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55319375
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55737377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 9221151) is 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)N[C@@H](C)c2ccc(F)cc2F)c1.
What is the InChIKey of 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is FGEVRLYWDIJGPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-12-4-3-5-15(8-12)23-19(25)11-26-10-18(24)22-13(2)16-7-6-14(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9221151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).