2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C25H25FN2O3S — CID 55737377

IUPAC2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(COc2ccccc2F)c2ccccc2)c1
InChIInChI=1S/C25H25FN2O3S/c1-18-8-7-11-20(14-18)27-24(29)16-32-17-25(30)28-22(19-9-3-2-4-10-19)15-31-23-13-6-5-12-21(23)26/h2-14,22H,15-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyHJEJHLRZTWGLKM-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.74
Rot. Bonds10

About 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 55737377) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID55737377
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC Name2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NC(COc2ccccc2F)c2ccccc2)c1
InChIInChI=1S/C25H25FN2O3S/c1-18-8-7-11-20(14-18)27-24(29)16-32-17-25(30)28-22(19-9-3-2-4-10-19)15-31-23-13-6-5-12-21(23)26/h2-14,22H,15-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyHJEJHLRZTWGLKM-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylacetamide
CID 84973416
N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296897
2-chloro-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 146083123
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151
3-amino-N-[2-(2-fluorophenoxy)-1-phenylethyl]butanamide;hydrochloride
CID 119735720
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
3-(2-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243339
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
2-[2-[4-(3,4-difluorophenyl)butan-2-ylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 86894221
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(2-hydroxyphenyl)propanamide
CID 112835967
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26676729

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 55737377) is 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)NC(COc2ccccc2F)c2ccccc2)c1.
What is the InChIKey of 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is HJEJHLRZTWGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-18-8-7-11-20(14-18)27-24(29)16-32-17-25(30)28-22(19-9-3-2-4-10-19)15-31-23-13-6-5-12-21(23)26/h2-14,22H,15-17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 452.55 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 55737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).