N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C23H26N2O3S — CID 8788912

IUPACN-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN(C)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C23H26N2O3S/c1-24(15-18-6-4-7-21(14-18)28-3)17-23(26)25(16-22-8-5-13-29-22)19-9-11-20(27-2)12-10-19/h4-14H,15-17H2,1-3H3
InChIKeyBMHXRQVCCMBCKM-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.43
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8788912) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8788912
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN(C)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C23H26N2O3S/c1-24(15-18-6-4-7-21(14-18)28-3)17-23(26)25(16-22-8-5-13-29-22)19-9-11-20(27-2)12-10-19/h4-14H,15-17H2,1-3H3
InChIKeyBMHXRQVCCMBCKM-UHFFFAOYSA-N
XLogP4.43
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 8788912) is N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(Cc2cccs2)C(=O)CN(C)Cc2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BMHXRQVCCMBCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-24(15-18-6-4-7-21(14-18)28-3)17-23(26)25(16-22-8-5-13-29-22)19-9-11-20(27-2)12-10-19/h4-14H,15-17H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8788912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).