4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide

C20H25N3O3S — CID 2812631

IUPAC4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19-9-5-17(6-10-19)20(24)21-18-7-3-16(4-8-18)15-23-11-13-27(25,26)14-12-23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZKYDCYJCVJYJOZ-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.24
Rot. Bonds5

About 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide

4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (PubChem CID 2812631) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
PubChem CID2812631
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19-9-5-17(6-10-19)20(24)21-18-7-3-16(4-8-18)15-23-11-13-27(25,26)14-12-23/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyZKYDCYJCVJYJOZ-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide 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

4-dimethylamino-N-(5-(2-mercaptoacetylamino)pentyl)benzamide
CID 11267278
4-(dimethylamino)-N-(6-sulfanylhexyl)benzamide
CID 11277483
N-(4-{[benzyl(Propyl)amino]methyl}phenyl)-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 72193937
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]-1-pyridinyl]butanamide
CID 167458926
N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide
CID 669479
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2810635
4-chloro-N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2812624
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 20225368
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide (CID 2812631) is 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
The InChIKey is ZKYDCYJCVJYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)19-9-5-17(6-10-19)20(24)21-18-7-3-16(4-8-18)15-23-11-13-27(25,26)14-12-23/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide?
4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 2812631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).