N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide

C22H25N3O4S — CID 24618968

IUPACN-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)n2cccc/c2=N\C(C)C)Cc2ccco2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17(2)23-21-8-4-5-13-25(21)22(26)16-24(15-19-7-6-14-29-19)30(27,28)20-11-9-18(3)10-12-20/h4-14,17H,15-16H2,1-3H3/b23-21+
InChIKeyIYDREIJXEKOWOF-XTQSDGFTSA-N
MW427.53 g/mol
LogP3.23
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide (PubChem CID 24618968) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
PubChem CID24618968
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)n2cccc/c2=N\C(C)C)Cc2ccco2)cc1
InChIInChI=1S/C22H25N3O4S/c1-17(2)23-21-8-4-5-13-25(21)22(26)16-24(15-19-7-6-14-29-19)30(27,28)20-11-9-18(3)10-12-20/h4-14,17H,15-16H2,1-3H3/b23-21+
InChIKeyIYDREIJXEKOWOF-XTQSDGFTSA-N
XLogP3.23
TPSA84.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide 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

2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 86819602
4-bromo-N-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
CID 43078091
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 18100578
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]propanoyl chloride
CID 50894365
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 983501
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide (CID 24618968) is N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)n2cccc/c2=N\C(C)C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide?
The InChIKey is IYDREIJXEKOWOF-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-17(2)23-21-8-4-5-13-25(21)22(26)16-24(15-19-7-6-14-29-19)30(27,28)20-11-9-18(3)10-12-20/h4-14,17H,15-16H2,1-3H3/b23-21+.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24618968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).