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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Related Compounds

2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid
CID 6426850
2-[2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoethyl]sulfinylacetic acid
CID 139597015
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide;7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
CID 122590288
methyl (2S)-2-[(2,4-dimethylthiophen-3-yl)-(2-hydroxyacetyl)amino]propanoate
CID 22827701
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide;2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 67384399
N-(2,4-dimethylthiophen-3-yl)-N-(2-methoxypropyl)acetamide
CID 70146312
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide;2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one
CID 121485207
2-amino-N-(2,4-dimethylthiophen-3-yl)acetohydrazide
CID 86096848
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 11831821
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
2-(hydroxymethyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-3-sulfonamide
CID 102749841
2-[1-methoxypropan-2-yl(methyl)amino]-3-methylbenzoic acid
CID 107112082

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).