3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide

C19H24N2O3S — CID 42931784

IUPAC3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)CCOc1ccccc1C)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-14-7-4-5-8-17(14)24-11-10-21(3)19(23)13-16(20-15(2)22)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyITVZRJXGENXYFH-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.16
Rot. Bonds8

About 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 42931784) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID42931784
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)CCOc1ccccc1C)c1cccs1
InChIInChI=1S/C19H24N2O3S/c1-14-7-4-5-8-17(14)24-11-10-21(3)19(23)13-16(20-15(2)22)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyITVZRJXGENXYFH-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 46528889
(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 94017825
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
(3S)-3-acetamido-N-[(3-chlorophenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 99865964
4-[[[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]-methylamino]methyl]-N-methylbenzamide
CID 38744358
(3S)-3-acetamido-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42011765
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
CID 67423103

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide (CID 42931784) is 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)N(C)CCOc1ccccc1C)c1cccs1.
What is the InChIKey of 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is ITVZRJXGENXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-7-4-5-8-17(14)24-11-10-21(3)19(23)13-16(20-15(2)22)18-9-6-12-25-18/h4-9,12,16H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 360.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42931784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).