2-(4-methylthiophen-2-yl)propanamide

C8H11NOS — CID 90822856

IUPAC2-(4-methylthiophen-2-yl)propanamide
SMILESCc1csc(C(C)C(N)=O)c1
InChIInChI=1S/C8H11NOS/c1-5-3-7(11-4-5)6(2)8(9)10/h3-4,6H,1-2H3,(H2,9,10)
InChIKeyLDQPJACLHXGJRJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(4-methylthiophen-2-yl)propanamide

2-(4-methylthiophen-2-yl)propanamide (PubChem CID 90822856) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)propanamide
PubChem CID90822856
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-(4-methylthiophen-2-yl)propanamide
SMILESCc1csc(C(C)C(N)=O)c1
InChIInChI=1S/C8H11NOS/c1-5-3-7(11-4-5)6(2)8(9)10/h3-4,6H,1-2H3,(H2,9,10)
InChIKeyLDQPJACLHXGJRJ-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
methyl 3-amino-3-(4-methylthiophen-2-yl)propanoate
CID 57362735
2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one
CID 175355720
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194
(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
CID 55296384
2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)propanamide?
The IUPAC name of 2-(4-methylthiophen-2-yl)propanamide (CID 90822856) is 2-(4-methylthiophen-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)propanamide?
The canonical SMILES for 2-(4-methylthiophen-2-yl)propanamide is Cc1csc(C(C)C(N)=O)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)propanamide?
The InChIKey is LDQPJACLHXGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-3-7(11-4-5)6(2)8(9)10/h3-4,6H,1-2H3,(H2,9,10).
What are the key properties of 2-(4-methylthiophen-2-yl)propanamide?
2-(4-methylthiophen-2-yl)propanamide has a molecular weight of 169.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 90822856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).