N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C22H18N6O3 — CID 55871891

IUPACN-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H18N6O3/c29-21(15-3-1-4-17(13-15)24-22(30)19-5-2-12-31-19)23-16-8-6-14(7-9-16)20-25-26-27-28(20)18-10-11-18/h1-9,12-13,18H,10-11H2,(H,23,29)(H,24,30)
InChIKeyNPQKCFPAHZCJIS-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55871891) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55871891
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H18N6O3/c29-21(15-3-1-4-17(13-15)24-22(30)19-5-2-12-31-19)23-16-8-6-14(7-9-16)20-25-26-27-28(20)18-10-11-18/h1-9,12-13,18H,10-11H2,(H,23,29)(H,24,30)
InChIKeyNPQKCFPAHZCJIS-UHFFFAOYSA-N
XLogP3.77
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide 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-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 41172527
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55871891) is N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is NPQKCFPAHZCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c29-21(15-3-1-4-17(13-15)24-22(30)19-5-2-12-31-19)23-16-8-6-14(7-9-16)20-25-26-27-28(20)18-10-11-18/h1-9,12-13,18H,10-11H2,(H,23,29)(H,24,30).
What are the key properties of N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).