4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid

C19H13NO6S — CID 1103262

IUPAC4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid
SMILESO=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1cccs1
InChIInChI=1S/C19H13NO6S/c21-17(16-2-1-9-27-16)20-11-3-5-12(6-4-11)26-13-7-8-14(18(22)23)15(10-13)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25)
InChIKeyVKKPSTNNWLZUQM-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.19
Rot. Bonds6

About 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid

4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid (PubChem CID 1103262) has the molecular formula C19H13NO6S and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid.

Molecular Properties

Compound Name4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid
PubChem CID1103262
Molecular FormulaC19H13NO6S
Molecular Weight383.38 g/mol
Exact Mass383.05
IUPAC Name4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid
SMILESO=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1cccs1
InChIInChI=1S/C19H13NO6S/c21-17(16-2-1-9-27-16)20-11-3-5-12(6-4-11)26-13-7-8-14(18(22)23)15(10-13)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25)
InChIKeyVKKPSTNNWLZUQM-UHFFFAOYSA-N
XLogP4.19
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(3-Fluoro-3'-methoxybiphenyl-4-YL)amino]carbonyl}thiophene-2-carboxylic acid
CID 15942657
3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
3-{[4-(3-Ethoxyphenyl)-2,6-difluorophenyl]carbamoyl}thiophene-2-carboxylic acid
CID 23647299
3-{[2-Fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2,4-dicarboxylic acid
CID 23647305
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2-thiophenecarboxamide
CID 1107365
3-({4-[(Thiophen-2-ylcarbonyl)amino]phenyl}carbamoyl)phenyl acetate
CID 1253503
2-Oxo-2-(2-thienyl)ethyl 4-[4-(3,4-dimethylphenoxy)anilino]-4-oxobutanoate
CID 1739558
N-{3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)oxy]phenyl}thiophene-2-carboxamide
CID 2193192
3-[4-(Benzoylamino)phenoxy]-2-thiophenecarboxylic acid
CID 16413335
N-{4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}-2-thiophenecarboxamide
CID 1307709
3-{4-[(2-Fluorobenzoyl)amino]phenoxy}-2-thiophenecarboxylic acid
CID 16413328
3-[[2-(4-Thiophen-2-ylphenoxy)acetyl]amino]benzoic acid
CID 16124991

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid?
The IUPAC name of 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid (CID 1103262) is 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid.
What is the SMILES notation for 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid?
The canonical SMILES for 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid is O=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1)c1cccs1.
What is the InChIKey of 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid?
The InChIKey is VKKPSTNNWLZUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO6S/c21-17(16-2-1-9-27-16)20-11-3-5-12(6-4-11)26-13-7-8-14(18(22)23)15(10-13)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid?
4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid has a molecular weight of 383.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophene-2-carbonylamino)phenoxy]phthalic acid is sourced from PubChem (CID 1103262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).