N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide

C18H23NOS — CID 138547765

IUPACN-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)Cc1ccccc1C
InChIInChI=1S/C18H23NOS/c1-4-19(13-17-10-7-11-21-17)18(20)15(3)12-16-9-6-5-8-14(16)2/h5-11,15H,4,12-13H2,1-3H3
InChIKeyWEKGMJOKGUNTEM-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 138547765) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID138547765
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)Cc1ccccc1C
InChIInChI=1S/C18H23NOS/c1-4-19(13-17-10-7-11-21-17)18(20)15(3)12-16-9-6-5-8-14(16)2/h5-11,15H,4,12-13H2,1-3H3
InChIKeyWEKGMJOKGUNTEM-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N-[1-[ethyl(thiophen-2-ylmethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134019558
2-bromo-3-methyl-N,N-bis(thiophen-2-ylmethyl)butanamide
CID 60953324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 138547765) is N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)C(C)Cc1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is WEKGMJOKGUNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-19(13-17-10-7-11-21-17)18(20)15(3)12-16-9-6-5-8-14(16)2/h5-11,15H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 301.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 138547765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).