N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C23H31N3O7S2 — CID 4857711

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H31N3O7S2/c1-5-25(6-2)34(28,29)19-9-10-21(32-4)20(16-19)24-23(27)18-8-7-17(3)22(15-18)35(30,31)26-11-13-33-14-12-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27)
InChIKeyGGFZDOJZYRSASS-UHFFFAOYSA-N
MW525.65 g/mol
LogP2.31
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4857711) has the molecular formula C23H31N3O7S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4857711
Molecular FormulaC23H31N3O7S2
Molecular Weight525.65 g/mol
Exact Mass525.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H31N3O7S2/c1-5-25(6-2)34(28,29)19-9-10-21(32-4)20(16-19)24-23(27)18-8-7-17(3)22(15-18)35(30,31)26-11-13-33-14-12-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27)
InChIKeyGGFZDOJZYRSASS-UHFFFAOYSA-N
XLogP2.31
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3421483
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587
N-(2,5-dimethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059853
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 4857711) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GGFZDOJZYRSASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S2/c1-5-25(6-2)34(28,29)19-9-10-21(32-4)20(16-19)24-23(27)18-8-7-17(3)22(15-18)35(30,31)26-11-13-33-14-12-26/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 525.65 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4857711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).