5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid

C15H15NO4S — CID 62920181

IUPAC5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C15H15NO4S/c1-2-8-20-11-5-3-4-10(9-11)14(17)16-13-7-6-12(21-13)15(18)19/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAPFSAWDROUXVHI-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.49
Rot. Bonds6

About 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid

5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 62920181) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID62920181
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)O)s2)c1
InChIInChI=1S/C15H15NO4S/c1-2-8-20-11-5-3-4-10(9-11)14(17)16-13-7-6-12(21-13)15(18)19/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyAPFSAWDROUXVHI-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid (CID 62920181) is 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid is CCCOc1cccc(C(=O)Nc2ccc(C(=O)O)s2)c1.
What is the InChIKey of 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is APFSAWDROUXVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-8-20-11-5-3-4-10(9-11)14(17)16-13-7-6-12(21-13)15(18)19/h3-7,9H,2,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid?
5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 62920181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).