3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

C14H19NO4S — CID 63336579

IUPAC3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)NC1CCCCCC1
InChIInChI=1S/C14H19NO4S/c16-12(15-10-5-3-1-2-4-6-10)9-19-11-7-8-20-13(11)14(17)18/h7-8,10H,1-6,9H2,(H,15,16)(H,17,18)
InChIKeyISPVGTOXJMQPNO-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.66
Rot. Bonds5

About 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid

3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 63336579) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID63336579
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)NC1CCCCCC1
InChIInChI=1S/C14H19NO4S/c16-12(15-10-5-3-1-2-4-6-10)9-19-11-7-8-20-13(11)14(17)18/h7-8,10H,1-6,9H2,(H,15,16)(H,17,18)
InChIKeyISPVGTOXJMQPNO-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338308
3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
3-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336180
3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338225
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
3-[2-(4-bromoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338003
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 63336579) is 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is O=C(COc1ccsc1C(=O)O)NC1CCCCCC1.
What is the InChIKey of 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is ISPVGTOXJMQPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-12(15-10-5-3-1-2-4-6-10)9-19-11-7-8-20-13(11)14(17)18/h7-8,10H,1-6,9H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid?
3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).