N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide

C21H27N3O4S — CID 46977366

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1
InChIInChI=1S/C21H27N3O4S/c1-15-5-7-17(13-19(15)24-9-11-28-12-10-24)21(25)22-18-8-6-16(2)20(14-18)29(26,27)23(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyHPGNZMSSCSDOEN-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide (PubChem CID 46977366) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
PubChem CID46977366
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1
InChIInChI=1S/C21H27N3O4S/c1-15-5-7-17(13-19(15)24-9-11-28-12-10-24)21(25)22-18-8-6-16(2)20(14-18)29(26,27)23(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)
InChIKeyHPGNZMSSCSDOEN-UHFFFAOYSA-N
XLogP2.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347765
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16599804
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide (CID 46977366) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1N1CCOCC1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide?
The InChIKey is HPGNZMSSCSDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-5-7-17(13-19(15)24-9-11-28-12-10-24)21(25)22-18-8-6-16(2)20(14-18)29(26,27)23(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 46977366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).