3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide

C23H24N2O4S — CID 86897699

IUPAC3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C23H24N2O4S/c1-16-9-10-20(21(14-16)28-2)29-12-11-22(26)24-18-7-3-4-8-19(18)25-23(27)15-17-6-5-13-30-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUQXDFSOARNZIKB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.65
Rot. Bonds9

About 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide

3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide (PubChem CID 86897699) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
PubChem CID86897699
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)Nc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C23H24N2O4S/c1-16-9-10-20(21(14-16)28-2)29-12-11-22(26)24-18-7-3-4-8-19(18)25-23(27)15-17-6-5-13-30-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyUQXDFSOARNZIKB-UHFFFAOYSA-N
XLogP4.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86970892
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-one
CID 55078933
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide (CID 86897699) is 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide is COc1cc(C)ccc1OCCC(=O)Nc1ccccc1NC(=O)Cc1cccs1.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
The InChIKey is UQXDFSOARNZIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16-9-10-20(21(14-16)28-2)29-12-11-22(26)24-18-7-3-4-8-19(18)25-23(27)15-17-6-5-13-30-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide?
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide has a molecular weight of 424.52 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 86897699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).