[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid

C13H10N2O4S — CID 87078760

IUPAC[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
SMILESO=Cc1ccc(C(=O)Nc2ccccc2NC(=O)O)s1
InChIInChI=1S/C13H10N2O4S/c16-7-8-5-6-11(20-8)12(17)14-9-3-1-2-4-10(9)15-13(18)19/h1-7,15H,(H,14,17)(H,18,19)
InChIKeySFKKHSBALNEMBU-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.90
Rot. Bonds4

About [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid

[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid (PubChem CID 87078760) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
PubChem CID87078760
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
SMILESO=Cc1ccc(C(=O)Nc2ccccc2NC(=O)O)s1
InChIInChI=1S/C13H10N2O4S/c16-7-8-5-6-11(20-8)12(17)14-9-3-1-2-4-10(9)15-13(18)19/h1-7,15H,(H,14,17)(H,18,19)
InChIKeySFKKHSBALNEMBU-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid?
The IUPAC name of [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid (CID 87078760) is [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid?
The canonical SMILES for [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid is O=Cc1ccc(C(=O)Nc2ccccc2NC(=O)O)s1.
What is the InChIKey of [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid?
The InChIKey is SFKKHSBALNEMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c16-7-8-5-6-11(20-8)12(17)14-9-3-1-2-4-10(9)15-13(18)19/h1-7,15H,(H,14,17)(H,18,19).
What are the key properties of [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid?
[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid has a molecular weight of 290.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 87078760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).