4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid

C14H13NO3S — CID 43233765

IUPAC4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(12-2-1-9-19-12)15-8-7-10-3-5-11(6-4-10)14(17)18/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeyUXHCVMDXMDOSCV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds5

About 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid

4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid (PubChem CID 43233765) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
PubChem CID43233765
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(12-2-1-9-19-12)15-8-7-10-3-5-11(6-4-10)14(17)18/h1-6,9H,7-8H2,(H,15,16)(H,17,18)
InChIKeyUXHCVMDXMDOSCV-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 55235306
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
4-[2-[(3-bromothiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 62032969
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid (CID 43233765) is 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cccs2)cc1.
What is the InChIKey of 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The InChIKey is UXHCVMDXMDOSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(12-2-1-9-19-12)15-8-7-10-3-5-11(6-4-10)14(17)18/h1-6,9H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 43233765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).