3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide

C24H28N2O3S — CID 45253226

IUPAC3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
SMILESCOc1cccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)c1
InChIInChI=1S/C24H28N2O3S/c1-18(15-25-24(27)20-8-5-9-21(14-20)28-3)29-22-10-4-7-19(13-22)16-26(2)17-23-11-6-12-30-23/h4-14,18H,15-17H2,1-3H3,(H,25,27)
InChIKeyBHTZQEPCCFACEK-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.59
Rot. Bonds10

About 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide

3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide (PubChem CID 45253226) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
PubChem CID45253226
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
SMILESCOc1cccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)c1
InChIInChI=1S/C24H28N2O3S/c1-18(15-25-24(27)20-8-5-9-21(14-20)28-3)29-22-10-4-7-19(13-22)16-26(2)17-23-11-6-12-30-23/h4-14,18H,15-17H2,1-3H3,(H,25,27)
InChIKeyBHTZQEPCCFACEK-UHFFFAOYSA-N
XLogP4.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
CID 45195426
N-[(2R)-2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26341394
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
1-ethyl-3-[2-(3-methoxyphenoxy)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111502225
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
CID 42499806
1-(3-methoxyphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486262
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 42407028

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide (CID 45253226) is 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide is COc1cccc(C(=O)NCC(C)Oc2cccc(CN(C)Cc3cccs3)c2)c1.
What is the InChIKey of 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The InChIKey is BHTZQEPCCFACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-18(15-25-24(27)20-8-5-9-21(14-20)28-3)29-22-10-4-7-19(13-22)16-26(2)17-23-11-6-12-30-23/h4-14,18H,15-17H2,1-3H3,(H,25,27).
What are the key properties of 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide has a molecular weight of 424.57 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide is sourced from PubChem (CID 45253226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).