N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide

C13H21NO2S — CID 137381087

IUPACN-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCCC(=O)N(c1c(C)csc1C)C(C)COC
InChIInChI=1S/C13H21NO2S/c1-6-12(15)14(10(3)7-16-5)13-9(2)8-17-11(13)4/h8,10H,6-7H2,1-5H3
InChIKeyXCDQAEYXKBKOER-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.14
Rot. Bonds5

About N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide

N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 137381087) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide
PubChem CID137381087
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCCC(=O)N(c1c(C)csc1C)C(C)COC
InChIInChI=1S/C13H21NO2S/c1-6-12(15)14(10(3)7-16-5)13-9(2)8-17-11(13)4/h8,10H,6-7H2,1-5H3
InChIKeyXCDQAEYXKBKOER-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The IUPAC name of N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide (CID 137381087) is N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide is CCC(=O)N(c1c(C)csc1C)C(C)COC.
What is the InChIKey of N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
The InChIKey is XCDQAEYXKBKOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-12(15)14(10(3)7-16-5)13-9(2)8-17-11(13)4/h8,10H,6-7H2,1-5H3.
What are the key properties of N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide?
N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide has a molecular weight of 255.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 137381087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).