2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid

C15H13NO4S — CID 43357329

IUPAC2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C15H13NO4S/c1-2-8-20-12-6-4-3-5-10(12)13(17)16-14-11(15(18)19)7-9-21-14/h2-7,9H,1,8H2,(H,16,17)(H,18,19)
InChIKeyKOVLXCFHAGXQTB-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.26
Rot. Bonds6

About 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid

2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 43357329) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID43357329
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid
SMILESC=CCOc1ccccc1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C15H13NO4S/c1-2-8-20-12-6-4-3-5-10(12)13(17)16-14-11(15(18)19)7-9-21-14/h2-7,9H,1,8H2,(H,16,17)(H,18,19)
InChIKeyKOVLXCFHAGXQTB-UHFFFAOYSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 29272831
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
2-prop-2-enoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393579
N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928852
N'-(2-iodobenzoyl)-2-prop-2-enoxybenzohydrazide
CID 4929047
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid (CID 43357329) is 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid is C=CCOc1ccccc1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is KOVLXCFHAGXQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-2-8-20-12-6-4-3-5-10(12)13(17)16-14-11(15(18)19)7-9-21-14/h2-7,9H,1,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid?
2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-enoxybenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43357329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).