N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C22H23N3O6S — CID 55758769

IUPACN-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23N3O6S/c1-15-20(32(28,29)25-10-2-3-11-25)13-19(31-15)21(26)23-14-16-6-8-17(9-7-16)24-22(27)18-5-4-12-30-18/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZBXFOOXFRNUVRF-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.15
Rot. Bonds7

About N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55758769) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55758769
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC NameN-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23N3O6S/c1-15-20(32(28,29)25-10-2-3-11-25)13-19(31-15)21(26)23-14-16-6-8-17(9-7-16)24-22(27)18-5-4-12-30-18/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZBXFOOXFRNUVRF-UHFFFAOYSA-N
XLogP3.15
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-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

5-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55761698
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
5-methyl-N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 126785335
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 94034180
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760762
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55760837
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47055156

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 55758769) is N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1oc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is ZBXFOOXFRNUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-15-20(32(28,29)25-10-2-3-11-25)13-19(31-15)21(26)23-14-16-6-8-17(9-7-16)24-22(27)18-5-4-12-30-18/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55758769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).