3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide

C20H26N2O4S — CID 46466415

IUPAC3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(CC)s2)cc1OCC
InChIInChI=1S/C20H26N2O4S/c1-4-15-8-9-16(27-15)12-21-19(23)13-22-20(24)14-7-10-17(25-5-2)18(11-14)26-6-3/h7-11H,4-6,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJLLCYISCHJICGB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.15
Rot. Bonds10

About 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 46466415) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID46466415
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(CC)s2)cc1OCC
InChIInChI=1S/C20H26N2O4S/c1-4-15-8-9-16(27-15)12-21-19(23)13-22-20(24)14-7-10-17(25-5-2)18(11-14)26-6-3/h7-11H,4-6,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJLLCYISCHJICGB-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55857985
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
3,4-diethoxy-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583545
3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 35955494
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide (CID 46466415) is 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc(CC)s2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is JLLCYISCHJICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-15-8-9-16(27-15)12-21-19(23)13-22-20(24)14-7-10-17(25-5-2)18(11-14)26-6-3/h7-11H,4-6,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46466415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).