N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide

C21H21N3O2S — CID 55597378

IUPACN-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2S/c1-14(2)22-21(26)16-8-4-6-10-18(16)23-19(25)13-27-20-12-11-15-7-3-5-9-17(15)24-20/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGXDKRCWKEDMZJB-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.10
Rot. Bonds6

About N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide

N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide (PubChem CID 55597378) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
PubChem CID55597378
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O2S/c1-14(2)22-21(26)16-8-4-6-10-18(16)23-19(25)13-27-20-12-11-15-7-3-5-9-17(15)24-20/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGXDKRCWKEDMZJB-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 60530030
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
N-propan-2-yl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 36991749
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide (CID 55597378) is N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide?
The InChIKey is GXDKRCWKEDMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(2)22-21(26)16-8-4-6-10-18(16)23-19(25)13-27-20-12-11-15-7-3-5-9-17(15)24-20/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide?
N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 55597378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).