N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide

C22H29N3O7S2 — CID 30126350

IUPACN-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
SMILESCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O7S2/c1-3-23-22(26)18-6-9-20(31-2)21(16-18)33(27,28)24-11-10-17-4-7-19(8-5-17)34(29,30)25-12-14-32-15-13-25/h4-9,16,24H,3,10-15H2,1-2H3,(H,23,26)
InChIKeyWKIKJJRIAVUAHU-UHFFFAOYSA-N
MW511.62 g/mol
LogP0.99
Rot. Bonds10

About N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide

N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide (PubChem CID 30126350) has the molecular formula C22H29N3O7S2 and a molecular weight of 511.62 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
PubChem CID30126350
Molecular FormulaC22H29N3O7S2
Molecular Weight511.62 g/mol
Exact Mass511.14
IUPAC NameN-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide
SMILESCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N3O7S2/c1-3-23-22(26)18-6-9-20(31-2)21(16-18)33(27,28)24-11-10-17-4-7-19(8-5-17)34(29,30)25-12-14-32-15-13-25/h4-9,16,24H,3,10-15H2,1-2H3,(H,23,26)
InChIKeyWKIKJJRIAVUAHU-UHFFFAOYSA-N
XLogP0.99
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(2-phenylethylsulfamoyl)benzamide
CID 43875221
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
3-(dimethylsulfamoyl)-4-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 27861838
5-chloro-2-ethoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126282
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
N-[[4-(butanoylamino)phenyl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55781546
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125752
2-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 30126330

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide?
The IUPAC name of N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide (CID 30126350) is N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide is CCNC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide?
The InChIKey is WKIKJJRIAVUAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O7S2/c1-3-23-22(26)18-6-9-20(31-2)21(16-18)33(27,28)24-11-10-17-4-7-19(8-5-17)34(29,30)25-12-14-32-15-13-25/h4-9,16,24H,3,10-15H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide?
N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide has a molecular weight of 511.62 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-[2-(4-morpholin-4-ylsulfonylphenyl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 30126350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).