2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide

C11H16N2O2S — CID 45796121

IUPAC2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1=CSC=C1)NC(=O)C
InChIInChI=1S/C11H16N2O2S/c1-8(12-9(2)14)11(15)13(3)6-10-4-5-16-7-10/h4-5,7-8H,6H2,1-3H3,(H,12,14)
InChIKeyDPXOGPIXGRRVKG-UHFFFAOYSA-N
MW240.32 g/mol
LogP0.60
Rot. Bonds4

About 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide

2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 45796121) has the molecular formula C11H16N2O2S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID45796121
Molecular FormulaC11H16N2O2S
Molecular Weight240.32 g/mol
Exact Mass240.09
IUPAC Name2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1=CSC=C1)NC(=O)C
InChIInChI=1S/C11H16N2O2S/c1-8(12-9(2)14)11(15)13(3)6-10-4-5-16-7-10/h4-5,7-8H,6H2,1-3H3,(H,12,14)
InChIKeyDPXOGPIXGRRVKG-UHFFFAOYSA-N
XLogP0.60
TPSA77.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity271

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methylsulfanyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 45811739
N-[1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 45814323
tert-butyl (4S)-4-(thiophen-3-ylmethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 53568662
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-(thiophen-3-ylmethyl)urea
CID 53599440
N-(thiophen-3-ylmethyl)pivalamide
CID 25853990
N-(thiophen-3-ylmethyl)isobutyramide
CID 25854034
N,2,2-Trimethyl-N-[(thiophen-3-YL)methyl]propanamide
CID 39966816
1-[4-(Thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 40004840
N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 2738526
N-[2-(dimethylamino)-2-(thiophen-3-yl)ethyl]-2-methylpropanamide
CID 16931186
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)oxalamide
CID 16932083
N1-propyl-N2-(thiophen-3-ylmethyl)oxalamide
CID 25868744

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide (CID 45796121) is 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide is CC(C(=O)N(C)CC1=CSC=C1)NC(=O)C.
What is the InChIKey of 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is DPXOGPIXGRRVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(12-9(2)14)11(15)13(3)6-10-4-5-16-7-10/h4-5,7-8H,6H2,1-3H3,(H,12,14).
What are the key properties of 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 240.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 45796121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).