4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C21H27N3O6S2 — CID 43058965

IUPAC4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O6S2/c1-4-16-6-7-17(13-20(16)32(28,29)24-9-11-30-12-10-24)21(25)23-18-8-5-15(2)19(14-18)31(26,27)22-3/h5-8,13-14,22H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyWLJLEVWIZXMLRS-UHFFFAOYSA-N
MW481.60 g/mol
LogP1.74
Rot. Bonds7

About 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43058965) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43058965
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H27N3O6S2/c1-4-16-6-7-17(13-20(16)32(28,29)24-9-11-30-12-10-24)21(25)23-18-8-5-15(2)19(14-18)31(26,27)22-3/h5-8,13-14,22H,4,9-12H2,1-3H3,(H,23,25)
InChIKeyWLJLEVWIZXMLRS-UHFFFAOYSA-N
XLogP1.74
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838075
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 43058965) is 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WLJLEVWIZXMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-4-16-6-7-17(13-20(16)32(28,29)24-9-11-30-12-10-24)21(25)23-18-8-5-15(2)19(14-18)31(26,27)22-3/h5-8,13-14,22H,4,9-12H2,1-3H3,(H,23,25).
What are the key properties of 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43058965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).