3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide (PubChem CID 60530654) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide.

Molecular Properties

Compound Name	3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
PubChem CID	60530654
Molecular Formula	C22H27N3O4S
Molecular Weight	429.54 g/mol
Exact Mass	429.17
IUPAC Name	3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
SMILES	CC1CC1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)o1
InChI	InChI=1S/C22H27N3O4S/c1-15-13-19(15)20-10-8-17(29-20)9-11-22(26)23-16-5-3-6-18(14-16)30(27,28)24-21-7-4-12-25(21)2/h3,5-6,8,10,14-15,19H,4,7,9,11-13H2,1-2H3,(H,23,26)/b24-21-
InChIKey	GWJKZPUFUPCHDH-FLFQWRMESA-N
XLogP	3.79
TPSA	91.98 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.54
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide?

The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide (CID 60530654) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide.

What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide?

The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide is CC1CC1c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)o1.

What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide?

The InChIKey is GWJKZPUFUPCHDH-FLFQWRMESA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-13-19(15)20-10-8-17(29-20)9-11-22(26)23-16-5-3-6-18(14-16)30(27,28)24-21-7-4-12-25(21)2/h3,5-6,8,10,14-15,19H,4,7,9,11-13H2,1-2H3,(H,23,26)/b24-21-.

What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide?

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide has a molecular weight of 429.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide is sourced from PubChem (CID 60530654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).