3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide

C22H28N2O4S — CID 100653623

IUPAC3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-17-15-18(9-10-20(17)24(2)29(3,26)27)21(25)23-16-22(11-13-28-14-12-22)19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,25)
InChIKeyIETXTBOWMUTWNS-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide

3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 100653623) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID100653623
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C22H28N2O4S/c1-17-15-18(9-10-20(17)24(2)29(3,26)27)21(25)23-16-22(11-13-28-14-12-22)19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,25)
InChIKeyIETXTBOWMUTWNS-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]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-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100535416
2-(2-methyl-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 100507549
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-[(4-phenyloxan-4-yl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 100661394
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methylsulfonylbenzamide
CID 55889890
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100587049
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 100653623) is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide is Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is IETXTBOWMUTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-15-18(9-10-20(17)24(2)29(3,26)27)21(25)23-16-22(11-13-28-14-12-22)19-7-5-4-6-8-19/h4-10,15H,11-14,16H2,1-3H3,(H,23,25).
What are the key properties of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 100653623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).