3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide

C12H18N2O3S — CID 3847370

IUPAC3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide
SMILESCC(Oc1ccsc1C(=O)N(C)C)C(=O)N(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(11(15)13(2)3)17-9-6-7-18-10(9)12(16)14(4)5/h6-8H,1-5H3
InChIKeyDAXAFNCSJDSCLS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.31
Rot. Bonds4

About 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide

3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide (PubChem CID 3847370) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide
PubChem CID3847370
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide
SMILESCC(Oc1ccsc1C(=O)N(C)C)C(=O)N(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(11(15)13(2)3)17-9-6-7-18-10(9)12(16)14(4)5/h6-8H,1-5H3
InChIKeyDAXAFNCSJDSCLS-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(diethylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
CID 63338401
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxythiophene-2-carboxylic acid
CID 55200795
2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]-N,N-dimethylpropanamide
CID 113389923
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid
CID 82995938
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide (CID 3847370) is 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide is CC(Oc1ccsc1C(=O)N(C)C)C(=O)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is DAXAFNCSJDSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(11(15)13(2)3)17-9-6-7-18-10(9)12(16)14(4)5/h6-8H,1-5H3.
What are the key properties of 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide?
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 3847370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).