4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide

C23H26N2O3S — CID 17468464

IUPAC4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C23H26N2O3S/c1-3-25(14-17-6-9-19(10-7-17)23(24)26)15-18-8-11-21(22(13-18)27-2)28-16-20-5-4-12-29-20/h4-13H,3,14-16H2,1-2H3,(H2,24,26)
InChIKeyNDDXKMATVIVFLM-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.46
Rot. Bonds10

About 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide

4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide (PubChem CID 17468464) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
PubChem CID17468464
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C23H26N2O3S/c1-3-25(14-17-6-9-19(10-7-17)23(24)26)15-18-8-11-21(22(13-18)27-2)28-16-20-5-4-12-29-20/h4-13H,3,14-16H2,1-2H3,(H2,24,26)
InChIKeyNDDXKMATVIVFLM-UHFFFAOYSA-N
XLogP4.46
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
CID 8744955
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-(1,3-benzoxazol-2-ylmethyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55409199
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 55541755
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methylphthalazin-1-one
CID 30002764
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
CID 8924044

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide?
The IUPAC name of 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide (CID 17468464) is 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide is CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide?
The InChIKey is NDDXKMATVIVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-25(14-17-6-9-19(10-7-17)23(24)26)15-18-8-11-21(22(13-18)27-2)28-16-20-5-4-12-29-20/h4-13H,3,14-16H2,1-2H3,(H2,24,26).
What are the key properties of 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide?
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 17468464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).