3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide

C21H21N3O2S — CID 41165036

IUPAC3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2S/c22-19(25)12-13-24(14-16-6-2-1-3-7-16)21(26)15-27-20-11-10-17-8-4-5-9-18(17)23-20/h1-11H,12-15H2,(H2,22,25)
InChIKeyDQNOQSRUIMAZJD-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.23
Rot. Bonds8

About 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide

3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide (PubChem CID 41165036) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
PubChem CID41165036
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2S/c22-19(25)12-13-24(14-16-6-2-1-3-7-16)21(26)15-27-20-11-10-17-8-4-5-9-18(17)23-20/h1-11H,12-15H2,(H2,22,25)
InChIKeyDQNOQSRUIMAZJD-UHFFFAOYSA-N
XLogP3.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-2-ylsulfanylacetamide
CID 2056006
3-[benzyl-[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]propanamide
CID 55867289
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550
benzyl 2-quinolin-2-ylsulfanylacetate
CID 27240915
3-[benzyl-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]propanamide
CID 112805239
3-[benzyl-[2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 24571885
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
CID 78761780
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide?
The IUPAC name of 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide (CID 41165036) is 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide.
What is the SMILES notation for 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide?
The canonical SMILES for 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide?
The InChIKey is DQNOQSRUIMAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c22-19(25)12-13-24(14-16-6-2-1-3-7-16)21(26)15-27-20-11-10-17-8-4-5-9-18(17)23-20/h1-11H,12-15H2,(H2,22,25).
What are the key properties of 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide?
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide has a molecular weight of 379.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide is sourced from PubChem (CID 41165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).