4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid

C10H12N2O5S — CID 66436450

IUPAC4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c1-5(8(13)12-10(16)11-2)17-6-3-7(9(14)15)18-4-6/h3-5H,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyBGQJBPJWDFAHLU-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.67
Rot. Bonds4

About 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid

4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid (PubChem CID 66436450) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
PubChem CID66436450
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid
SMILESCNC(=O)NC(=O)C(C)Oc1csc(C(=O)O)c1
InChIInChI=1S/C10H12N2O5S/c1-5(8(13)12-10(16)11-2)17-6-3-7(9(14)15)18-4-6/h3-5H,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyBGQJBPJWDFAHLU-UHFFFAOYSA-N
XLogP0.67
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 7796196
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
4-methoxy-3-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43117185
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495453
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid (CID 66436450) is 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid is CNC(=O)NC(=O)C(C)Oc1csc(C(=O)O)c1.
What is the InChIKey of 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid?
The InChIKey is BGQJBPJWDFAHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-5(8(13)12-10(16)11-2)17-6-3-7(9(14)15)18-4-6/h3-5H,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid?
4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66436450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).