4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid

C14H13NO4S — CID 63742917

IUPAC4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H13NO4S/c1-19-12-5-4-9(14(17)18)7-11(12)15-13(16)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQQZOPYLLMVIMJN-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.64
Rot. Bonds5

About 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid

4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid (PubChem CID 63742917) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
PubChem CID63742917
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C14H13NO4S/c1-19-12-5-4-9(14(17)18)7-11(12)15-13(16)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQQZOPYLLMVIMJN-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
4-methoxy-3-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 138043382
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-thiophen-2-ylacetamide
CID 140896289
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
methyl 3-difluoroboranyl-4-[(2-thiophen-2-ylacetyl)amino]benzoate
CID 44633551
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-(2-methoxy-4-methylphenoxy)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 86897699

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid (CID 63742917) is 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)Cc1cccs1.
What is the InChIKey of 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
The InChIKey is QQZOPYLLMVIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-19-12-5-4-9(14(17)18)7-11(12)15-13(16)8-10-3-2-6-20-10/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid?
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63742917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).