5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

C21H22N4O4S — CID 47045161

IUPAC5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)c2)n1
InChIInChI=1S/C21H22N4O4S/c1-14-20(30(27,28)25-10-3-4-11-25)13-19(29-14)21(26)24-17-7-5-6-16(12-17)18-8-9-22-15(2)23-18/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyCRYRWNXKWWWABM-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.39
Rot. Bonds5

About 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide

5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 47045161) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID47045161
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)c2)n1
InChIInChI=1S/C21H22N4O4S/c1-14-20(30(27,28)25-10-3-4-11-25)13-19(29-14)21(26)24-17-7-5-6-16(12-17)18-8-9-22-15(2)23-18/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyCRYRWNXKWWWABM-UHFFFAOYSA-N
XLogP3.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-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-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883946
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46404196
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754658
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(triazol-1-yl)phenyl]furan-2-carboxamide
CID 112835204
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55776523
5-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55965207
1-ethylsulfonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 112819680
5-methyl-N-[(1-phenylcyclopropyl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758629
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide (CID 47045161) is 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is Cc1nccc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)c2)n1.
What is the InChIKey of 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is CRYRWNXKWWWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-20(30(27,28)25-10-3-4-11-25)13-19(29-14)21(26)24-17-7-5-6-16(12-17)18-8-9-22-15(2)23-18/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,26).
What are the key properties of 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide?
5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 47045161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).