N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide

C20H24N2O4S — CID 132658756

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-17(16-7-5-6-8-18(16)26-20)21-19(23)14-9-11-15(12-10-14)22(3)27(4,24)25/h5-12,17H,13H2,1-4H3,(H,21,23)
InChIKeyNXWXSPPGRUOJOW-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.11
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 132658756) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID132658756
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-20(2)13-17(16-7-5-6-8-18(16)26-20)21-19(23)14-9-11-15(12-10-14)22(3)27(4,24)25/h5-12,17H,13H2,1-4H3,(H,21,23)
InChIKeyNXWXSPPGRUOJOW-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]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

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132669354
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672537
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-chloro-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 133262150
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242407
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 132658756) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NC2CC(C)(C)Oc3ccccc32)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is NXWXSPPGRUOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2)13-17(16-7-5-6-8-18(16)26-20)21-19(23)14-9-11-15(12-10-14)22(3)27(4,24)25/h5-12,17H,13H2,1-4H3,(H,21,23).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 132658756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).