3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide

C19H22N2O4S — CID 1051609

IUPAC3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1
InChIInChI=1S/C19H22N2O4S/c1-14-4-3-5-16(12-14)19(22)20-18-7-6-17(13-15(18)2)26(23,24)21-8-10-25-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeyHAXSYHBGVKUBDQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide

3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1051609) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1051609
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1
InChIInChI=1S/C19H22N2O4S/c1-14-4-3-5-16(12-14)19(22)20-18-7-6-17(13-15(18)2)26(23,24)21-8-10-25-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeyHAXSYHBGVKUBDQ-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SC-74020
CID 5288596
N,N-Bis[3-(dimethylamino)propyl]-1-[[4-[(2,2-diphenylethyl)amino]-3-(4-morpholinylcarbonyl)phenyl]sulfonyl]-4-piperidinecarboxamide
CID 11320189
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1051609) is 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1.
What is the InChIKey of 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is HAXSYHBGVKUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-4-3-5-16(12-14)19(22)20-18-7-6-17(13-15(18)2)26(23,24)21-8-10-25-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide?
3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1051609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).