5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid

C22H18N2O5 — CID 69466458

IUPAC5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)O)o2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H18N2O5/c25-20(14-1-2-14)24-17-9-5-15(6-10-17)21(26)23-16-7-3-13(4-8-16)18-11-12-19(29-18)22(27)28/h3-12,14H,1-2H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyVNYFVKBQBDRWLZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.25
Rot. Bonds6

About 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid

5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid (PubChem CID 69466458) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
PubChem CID69466458
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)O)o2)cc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C22H18N2O5/c25-20(14-1-2-14)24-17-9-5-15(6-10-17)21(26)23-16-7-3-13(4-8-16)18-11-12-19(29-18)22(27)28/h3-12,14H,1-2H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyVNYFVKBQBDRWLZ-UHFFFAOYSA-N
XLogP4.25
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 11518929
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
5-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 23768234
5-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 23967867
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
2-[5-[4-(cyclopropanecarbonylamino)phenyl]furan-2-yl]acetic acid
CID 82368563
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
methyl 5-[4-[(4-phenylphenyl)carbamoyl]phenyl]furan-2-carboxylate
CID 175731652
5-[4-(benzoylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91688386
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
5-[4-[(4-tert-butylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxylic acid
CID 91688383
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid (CID 69466458) is 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid is O=C(Nc1ccc(-c2ccc(C(=O)O)o2)cc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid?
The InChIKey is VNYFVKBQBDRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-20(14-1-2-14)24-17-9-5-15(6-10-17)21(26)23-16-7-3-13(4-8-16)18-11-12-19(29-18)22(27)28/h3-12,14H,1-2H2,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid?
5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(cyclopropanecarbonylamino)benzoyl]amino]phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 69466458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).