N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide

C22H22N4O4S — CID 4790073

IUPACN,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-16-6-12-19(13-7-16)31(29,30)26(2)15-17-8-10-18(11-9-17)21(27)24-25-22(28)20-5-3-4-14-23-20/h3-14H,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPKRLVTAPVJOHEZ-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.29
Rot. Bonds6

About N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide

N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide (PubChem CID 4790073) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
PubChem CID4790073
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N4O4S/c1-16-6-12-19(13-7-16)31(29,30)26(2)15-17-8-10-18(11-9-17)21(27)24-25-22(28)20-5-3-4-14-23-20/h3-14H,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyPKRLVTAPVJOHEZ-UHFFFAOYSA-N
XLogP2.29
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]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

N-[[4-[[[2-(2-chlorophenyl)acetyl]amino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 4799361
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 3947692
N-[[4-[(furan-2-carbonylamino)carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 25499935
N-[[4-[[(2,6-difluorobenzoyl)amino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 2379105
N,4-dimethyl-N-[[4-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2432161
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915
N-cyclohexyl-N-methyl-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9033321
N-[[4-[[1-(1-benzofuran-2-yl)ethenylamino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 2094353
N,4-dimethyl-N-[[4-[(thiophen-2-ylsulfonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2507621
N,4-dimethyl-N-[[4-[[[2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]carbamoyl]phenyl]methyl]benzenesulfonamide
CID 2119169
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 3937488
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 6088841

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide (CID 4790073) is N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is PKRLVTAPVJOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-16-6-12-19(13-7-16)31(29,30)26(2)15-17-8-10-18(11-9-17)21(27)24-25-22(28)20-5-3-4-14-23-20/h3-14H,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide?
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 438.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 4790073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).