N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide

C17H22N2O2S — CID 51303270

IUPACN-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide
SMILESCOc1ccccc1NC(=O)CCN(C)C(C)c1cccs1
InChIInChI=1S/C17H22N2O2S/c1-13(16-9-6-12-22-16)19(2)11-10-17(20)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,20)
InChIKeyKYVSCXNRFJWMBK-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.78
Rot. Bonds7

About N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide

N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide (PubChem CID 51303270) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide
PubChem CID51303270
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide
SMILESCOc1ccccc1NC(=O)CCN(C)C(C)c1cccs1
InChIInChI=1S/C17H22N2O2S/c1-13(16-9-6-12-22-16)19(2)11-10-17(20)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,20)
InChIKeyKYVSCXNRFJWMBK-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
N-(2-methoxyphenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylamino]acetamide
CID 51171423
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115284233
ethyl 2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]benzoate
CID 18124855
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide
CID 40803195

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide (CID 51303270) is N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide is COc1ccccc1NC(=O)CCN(C)C(C)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide?
The InChIKey is KYVSCXNRFJWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13(16-9-6-12-22-16)19(2)11-10-17(20)18-14-7-4-5-8-15(14)21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide?
N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propanamide is sourced from PubChem (CID 51303270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).