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

C12H17NO4S — CID 82959594

IUPAC5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(C(=O)c1ccc(C(=O)O)s1)C(C)C
InChIInChI=1S/C12H17NO4S/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKeyAIGNXHCDJITZJE-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.94
Rot. Bonds6

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

5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 82959594) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID82959594
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(C(=O)c1ccc(C(=O)O)s1)C(C)C
InChIInChI=1S/C12H17NO4S/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16)
InChIKeyAIGNXHCDJITZJE-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 43573178
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
1-(5-bromothiophen-2-yl)-2-[2-methoxyethyl(propan-2-yl)amino]ethanone
CID 82950806
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid (CID 82959594) is 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid is COCCN(C(=O)c1ccc(C(=O)O)s1)C(C)C.
What is the InChIKey of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is AIGNXHCDJITZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8(2)13(6-7-17-3)11(14)9-4-5-10(18-9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82959594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).