2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide

C15H18N2OS — CID 119708574

IUPAC2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-11(10-16-2)15(18)17-13-6-3-5-12(9-13)14-7-4-8-19-14/h3-9,11,16H,10H2,1-2H3,(H,17,18)
InChIKeyKIKXVWRDHIXUGA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.21
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide

2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide (PubChem CID 119708574) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
PubChem CID119708574
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C15H18N2OS/c1-11(10-16-2)15(18)17-13-6-3-5-12(9-13)14-7-4-8-19-14/h3-9,11,16H,10H2,1-2H3,(H,17,18)
InChIKeyKIKXVWRDHIXUGA-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
N'-(3-thiophen-2-ylphenyl)oxamide
CID 151856111
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
(2S)-3-hydroxy-2-[(3-thiophen-2-ylphenyl)carbamoylamino]propanoic acid
CID 154797426
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
1-(1-hydroxypentan-3-yl)-3-(3-thiophen-2-ylphenyl)urea
CID 111453355
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
(3-thiophen-2-ylanilino)methanol
CID 143026650
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide (CID 119708574) is 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide is CNCC(C)C(=O)Nc1cccc(-c2cccs2)c1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide?
The InChIKey is KIKXVWRDHIXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(10-16-2)15(18)17-13-6-3-5-12(9-13)14-7-4-8-19-14/h3-9,11,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide?
2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide is sourced from PubChem (CID 119708574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).