5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid

C14H16N2O3S — CID 63616317

IUPAC5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-3-6-16-7-4-5-11(16)12(17)15-13-10(14(18)19)8-9(2)20-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyUPNWYOILQPALGB-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.22
Rot. Bonds5

About 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid

5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 63616317) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID63616317
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCCCn1cccc1C(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-3-6-16-7-4-5-11(16)12(17)15-13-10(14(18)19)8-9(2)20-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyUPNWYOILQPALGB-UHFFFAOYSA-N
XLogP3.22
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 63616317) is 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid is CCCn1cccc1C(=O)Nc1sc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is UPNWYOILQPALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-6-16-7-4-5-11(16)12(17)15-13-10(14(18)19)8-9(2)20-13/h4-5,7-8H,3,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid?
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).