N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide

C19H20FN3O3S — CID 38639105

IUPACN-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
SMILESO=C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H20FN3O3S/c20-15-6-8-16(9-7-15)23-19(26)13-27-12-18(25)22-11-17(24)21-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyLLFWQLKXEURKEO-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.93
Rot. Bonds9

About N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide

N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide (PubChem CID 38639105) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
PubChem CID38639105
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide
SMILESO=C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H20FN3O3S/c20-15-6-8-16(9-7-15)23-19(26)13-27-12-18(25)22-11-17(24)21-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyLLFWQLKXEURKEO-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
2-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 110953235
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
CID 51190392
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-3-ylethyl)acetamide
CID 55555065
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 55870041
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide (CID 38639105) is N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide is O=C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
The InChIKey is LLFWQLKXEURKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-15-6-8-16(9-7-15)23-19(26)13-27-12-18(25)22-11-17(24)21-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide?
N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide has a molecular weight of 389.45 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 38639105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).