2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide

C19H21FN2O2S — CID 132654274

IUPAC2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-14(19(24)21-2)22(12-15-8-10-16(20)11-9-15)18(23)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyJRSRHRRMVRPDHS-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.08
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide

2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide (PubChem CID 132654274) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
PubChem CID132654274
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1
InChIInChI=1S/C19H21FN2O2S/c1-14(19(24)21-2)22(12-15-8-10-16(20)11-9-15)18(23)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyJRSRHRRMVRPDHS-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132762509
(2S)-2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663170
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-methyl-3-phenylpropanamide
CID 132612809
2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide
CID 132655936
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132663337
2-[(4-fluorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 132658791
2-[[2-(4-chlorophenyl)sulfanylacetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132667059
2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-methyl-3-phenylpropanamide
CID 132947663
(2S)-2-[(2-benzylsulfanylacetyl)-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100683880
2-[benzyl-(2-benzylsulfanylacetyl)amino]-N-methylpropanamide
CID 132653824
(2R)-2-[benzyl-(2-benzylsulfanylacetyl)amino]-N-methylpropanamide
CID 100561434
(2S)-2-[(4-bromophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-butylpropanamide
CID 100572611

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide (CID 132654274) is 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
The InChIKey is JRSRHRRMVRPDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-14(19(24)21-2)22(12-15-8-10-16(20)11-9-15)18(23)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide?
2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide has a molecular weight of 360.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132654274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).