N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide

C21H21N3O2S — CID 25408330

IUPACN-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C21H21N3O2S/c1-3-22-21(26)15-7-6-8-16(12-15)23-19(25)13-27-20-11-14(2)17-9-4-5-10-18(17)24-20/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBGRZEOQANKNNJE-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.02
Rot. Bonds6

About N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide

N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide (PubChem CID 25408330) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
PubChem CID25408330
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C21H21N3O2S/c1-3-22-21(26)15-7-6-8-16(12-15)23-19(25)13-27-20-11-14(2)17-9-4-5-10-18(17)24-20/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBGRZEOQANKNNJE-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
3-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904652
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 27971771
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
N-ethyl-3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42115923
3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3637014
3-[[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904690
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide (CID 25408330) is N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CSc2cc(C)c3ccccc3n2)c1.
What is the InChIKey of N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide?
The InChIKey is BGRZEOQANKNNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-22-21(26)15-7-6-8-16(12-15)23-19(25)13-27-20-11-14(2)17-9-4-5-10-18(17)24-20/h4-12H,3,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide?
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 25408330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).