N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide

C13H19NO2S — CID 115177003

IUPACN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CCc1sccc1C
InChIInChI=1S/C13H19NO2S/c1-10-7-9-17-12(10)6-8-14(3)13(16)5-4-11(2)15/h7,9H,4-6,8H2,1-3H3
InChIKeyZAECWXYYHMRNRB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide

N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide (PubChem CID 115177003) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide
PubChem CID115177003
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CCc1sccc1C
InChIInChI=1S/C13H19NO2S/c1-10-7-9-17-12(10)6-8-14(3)13(16)5-4-11(2)15/h7,9H,4-6,8H2,1-3H3
InChIKeyZAECWXYYHMRNRB-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
3-amino-N,3-dimethyl-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155110
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 115159325
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115272348

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide?
The IUPAC name of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide (CID 115177003) is N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide?
The canonical SMILES for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide is CC(=O)CCC(=O)N(C)CCc1sccc1C.
What is the InChIKey of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide?
The InChIKey is ZAECWXYYHMRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-7-9-17-12(10)6-8-14(3)13(16)5-4-11(2)15/h7,9H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide?
N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide has a molecular weight of 253.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-4-oxopentanamide is sourced from PubChem (CID 115177003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).