5-(diethylcarbamoyl)thiophene-2-carboxylic acid

C10H13NO3S — CID 43414408

IUPAC5-(diethylcarbamoyl)thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-3-11(4-2)9(12)7-5-6-8(15-7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyIKHGIFPRICVOIF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.93
Rot. Bonds4

About 5-(diethylcarbamoyl)thiophene-2-carboxylic acid

5-(diethylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 43414408) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-(diethylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(diethylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID43414408
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-(diethylcarbamoyl)thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-3-11(4-2)9(12)7-5-6-8(15-7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyIKHGIFPRICVOIF-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)thiophene-2-carboxylic acid hydrochloride
CID 70086882
5-Carbamoylthiophene-2-carboxylic acid
CID 723562
5-({[(Tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid
CID 22350606
5-(1-((Tert-butoxy)carbonyl)pyrrolidin-2-yl)thiophene-2-carboxylic acid
CID 66759426
5-[(Piperidin-1-yl)methyl]thiophene-2-carboxylic acid hydrochloride
CID 54595872
6-Methyl-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-2-carboxylic acid hydroc+
CID 91666213
5-[(4-Methylpiperazin-1-yl)methyl]thiophene-2-carboxylic acid dihydrochloride
CID 132327533
N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine
CID 61008719
5-(Tert-butylcarbamoyl)thiophene-2-carboxylic acid
CID 2314276
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
Methyl 5-[cyclopropyl(2,2-difluoroethyl)carbamoyl]thiophene-2-carboxylate
CID 56782513
5-{[(2-Methoxyethyl)(propyl)amino]carbonyl}thiophene-2-carboxylic acid
CID 74248605

Frequently Asked Questions

What is the IUPAC name of 5-(diethylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(diethylcarbamoyl)thiophene-2-carboxylic acid (CID 43414408) is 5-(diethylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(diethylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(diethylcarbamoyl)thiophene-2-carboxylic acid is CCN(CC)C(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(diethylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is IKHGIFPRICVOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-11(4-2)9(12)7-5-6-8(15-7)10(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-(diethylcarbamoyl)thiophene-2-carboxylic acid?
5-(diethylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43414408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).