5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid

C14H13NO5S — CID 63379921

IUPAC5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C(N)=O)ccc1OCc1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO5S/c1-19-11-6-8(13(15)16)2-4-10(11)20-7-9-3-5-12(21-9)14(17)18/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyBKRHLSSJGKBKRG-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.13
Rot. Bonds6

About 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid

5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid (PubChem CID 63379921) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
PubChem CID63379921
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
SMILESCOc1cc(C(N)=O)ccc1OCc1ccc(C(=O)O)s1
InChIInChI=1S/C14H13NO5S/c1-19-11-6-8(13(15)16)2-4-10(11)20-7-9-3-5-12(21-9)14(17)18/h2-6H,7H2,1H3,(H2,15,16)(H,17,18)
InChIKeyBKRHLSSJGKBKRG-UHFFFAOYSA-N
XLogP2.13
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
5-[(4-cyano-2-methoxyphenoxy)methyl]thiophene-2-carbohydrazide
CID 63575117
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131
5-[(4-cyano-2-ethoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 63380398
4-butoxy-3-methoxybenzamide
CID 47102628
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-[(2-tert-butyl-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416216
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid (CID 63379921) is 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid is COc1cc(C(N)=O)ccc1OCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid?
The InChIKey is BKRHLSSJGKBKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-19-11-6-8(13(15)16)2-4-10(11)20-7-9-3-5-12(21-9)14(17)18/h2-6H,7H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid?
5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63379921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).