3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid

C14H13NO3S — CID 55235306

IUPAC3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c16-13(12-5-2-8-19-12)15-7-6-10-3-1-4-11(9-10)14(17)18/h1-5,8-9H,6-7H2,(H,15,16)(H,17,18)
InChIKeyYBTXQLRCGCDKSN-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid

3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid (PubChem CID 55235306) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
PubChem CID55235306
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c16-13(12-5-2-8-19-12)15-7-6-10-3-1-4-11(9-10)14(17)18/h1-5,8-9H,6-7H2,(H,15,16)(H,17,18)
InChIKeyYBTXQLRCGCDKSN-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

4-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid
CID 43233765
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
3-[2-[(2-amino-2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 115287296
N-[3-[[N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111670460
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
3-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethyl]benzoic acid
CID 63793372
3-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 75356313
3-[2-[(5-chlorofuran-2-carbonyl)amino]ethyl]benzoic acid
CID 63795812
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The IUPAC name of 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid (CID 55235306) is 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The canonical SMILES for 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)c2cccs2)c1.
What is the InChIKey of 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
The InChIKey is YBTXQLRCGCDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(12-5-2-8-19-12)15-7-6-10-3-1-4-11(9-10)14(17)18/h1-5,8-9H,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid?
3-[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 3-[2-(thiophene-2-carbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 55235306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).