4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid

C14H13NO5S — CID 16771039

IUPAC4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
SMILESCOc1cc(NC(=O)c2ccsc2)c(C(=O)O)cc1OC
InChIInChI=1S/C14H13NO5S/c1-19-11-5-9(14(17)18)10(6-12(11)20-2)15-13(16)8-3-4-21-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLCWBZDSFGNTWML-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.72
Rot. Bonds5

About 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid

4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid (PubChem CID 16771039) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
PubChem CID16771039
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
SMILESCOc1cc(NC(=O)c2ccsc2)c(C(=O)O)cc1OC
InChIInChI=1S/C14H13NO5S/c1-19-11-5-9(14(17)18)10(6-12(11)20-2)15-13(16)8-3-4-21-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLCWBZDSFGNTWML-UHFFFAOYSA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
4-fluoro-2-(thiophene-3-carbonylamino)benzoic acid
CID 16788115
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
4,5-dimethoxy-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 16774874
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-3-carboxamide
CID 9081738

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid?
The IUPAC name of 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid (CID 16771039) is 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid is COc1cc(NC(=O)c2ccsc2)c(C(=O)O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid?
The InChIKey is LCWBZDSFGNTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-19-11-5-9(14(17)18)10(6-12(11)20-2)15-13(16)8-3-4-21-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid?
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid is sourced from PubChem (CID 16771039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).