N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide

C19H22N2O5S2 — CID 56535843

IUPACN-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCS(=O)CC2)cc1
InChIInChI=1S/C19H22N2O5S2/c1-20(17-5-3-4-6-18(17)26-2)28(24,25)16-9-7-15(8-10-16)19(22)21-11-13-27(23)14-12-21/h3-10H,11-14H2,1-2H3
InChIKeyMUZJRIDANSNBTG-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.72
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide (PubChem CID 56535843) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
PubChem CID56535843
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCS(=O)CC2)cc1
InChIInChI=1S/C19H22N2O5S2/c1-20(17-5-3-4-6-18(17)26-2)28(24,25)16-9-7-15(8-10-16)19(22)21-11-13-27(23)14-12-21/h3-10H,11-14H2,1-2H3
InChIKeyMUZJRIDANSNBTG-UHFFFAOYSA-N
XLogP1.72
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)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-(2-methoxyphenyl)-N-methyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670349
N-(2-methoxyphenyl)-N-methyl-4-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 56537908
N-(2-methoxyphenyl)-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119403580
N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255421
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
N-(2-methoxyphenyl)-N-methyl-4-[(2R,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide
CID 41291693
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide (CID 56535843) is N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCS(=O)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
The InChIKey is MUZJRIDANSNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-20(17-5-3-4-6-18(17)26-2)28(24,25)16-9-7-15(8-10-16)19(22)21-11-13-27(23)14-12-21/h3-10H,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 56535843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).