5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid

C13H18N2O4S — CID 115582897

IUPAC5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H18N2O4S/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h6-8H,4-5H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyUFPKMMKZDLPWHN-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.43
Rot. Bonds6

About 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid

5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 115582897) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID115582897
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)C(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H18N2O4S/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h6-8H,4-5H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyUFPKMMKZDLPWHN-UHFFFAOYSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(diethylamino)-2-oxoethyl]carbamoyl]thiophene-2-carboxylic acid
CID 115593699
5-(5-methylhexan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 60721960
4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 43697529
5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 115730420
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate
CID 61009497
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830189
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid (CID 115582897) is 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid is CCN(CC)C(=O)C(C)NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is UFPKMMKZDLPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-15(5-2)12(17)8(3)14-11(16)9-6-7-10(20-9)13(18)19/h6-8H,4-5H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid?
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115582897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).