3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C20H25N3O7S2 — CID 5029544

IUPAC3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O7S2/c1-22(2)31(25,26)16-6-4-5-15(13-16)20(24)21-18-14-17(7-8-19(18)29-3)32(27,28)23-9-11-30-12-10-23/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)
InChIKeyNMCMQJIFCDRTOD-UHFFFAOYSA-N
MW483.57 g/mol
LogP1.22
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 5029544) has the molecular formula C20H25N3O7S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID5029544
Molecular FormulaC20H25N3O7S2
Molecular Weight483.57 g/mol
Exact Mass483.11
IUPAC Name3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O7S2/c1-22(2)31(25,26)16-6-4-5-15(13-16)20(24)21-18-14-17(7-8-19(18)29-3)32(27,28)23-9-11-30-12-10-23/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)
InChIKeyNMCMQJIFCDRTOD-UHFFFAOYSA-N
XLogP1.22
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4852011
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
3-(dimethylsulfamoyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849961
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 5029544) is 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is NMCMQJIFCDRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S2/c1-22(2)31(25,26)16-6-4-5-15(13-16)20(24)21-18-14-17(7-8-19(18)29-3)32(27,28)23-9-11-30-12-10-23/h4-8,13-14H,9-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 483.57 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 5029544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).