5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid

C15H15NO4S — CID 102907527

IUPAC5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCc1ccccc1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H15NO4S/c1-20-9-8-10-4-2-3-5-11(10)16-14(17)12-6-7-13(21-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUQZMQIREWAOOB-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.89
Rot. Bonds6

About 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid

5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 102907527) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID102907527
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCc1ccccc1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H15NO4S/c1-20-9-8-10-4-2-3-5-11(10)16-14(17)12-6-7-13(21-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUQZMQIREWAOOB-UHFFFAOYSA-N
XLogP2.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 102909079
N-[2-(2-methoxyethyl)phenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 102978274
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid (CID 102907527) is 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid is COCCc1ccccc1NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is KUQZMQIREWAOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-9-8-10-4-2-3-5-11(10)16-14(17)12-6-7-13(21-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid?
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102907527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).