2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C20H23FN2O2S — CID 51158171

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2S/c1-14-6-4-5-7-16(14)12-23(3)20(25)15(2)26-13-19(24)22-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,24)
InChIKeyAHPGLRKHHBUTNK-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 51158171) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID51158171
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2S/c1-14-6-4-5-7-16(14)12-23(3)20(25)15(2)26-13-19(24)22-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,24)
InChIKeyAHPGLRKHHBUTNK-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134047380
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 51266512
N-(2-ethyl-6-methylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 44639274
2-[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]-N-(4-fluorophenyl)acetamide
CID 111287563
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 55501499
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N,N-bis(2-methylpropyl)propanamide
CID 78861206
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 55361033
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
(2S)-N-(3-chloro-4-methylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730363
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 51158171) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)C(C)SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is AHPGLRKHHBUTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14-6-4-5-7-16(14)12-23(3)20(25)15(2)26-13-19(24)22-18-10-8-17(21)9-11-18/h4-11,15H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 374.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 51158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).