4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C24H33N3O5S — CID 4587907

IUPAC4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-27(5-2)33(29,30)22-12-8-20(9-13-22)24(28)25-18-23(26-14-16-32-17-15-26)19-6-10-21(31-3)11-7-19/h6-13,23H,4-5,14-18H2,1-3H3,(H,25,28)
InChIKeyUJXULCPBEYSSEY-UHFFFAOYSA-N
MW475.61 g/mol
LogP2.53
Rot. Bonds10

About 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 4587907) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID4587907
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-27(5-2)33(29,30)22-12-8-20(9-13-22)24(28)25-18-23(26-14-16-32-17-15-26)19-6-10-21(31-3)11-7-19/h6-13,23H,4-5,14-18H2,1-3H3,(H,25,28)
InChIKeyUJXULCPBEYSSEY-UHFFFAOYSA-N
XLogP2.53
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 4587907) is 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is UJXULCPBEYSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-4-27(5-2)33(29,30)22-12-8-20(9-13-22)24(28)25-18-23(26-14-16-32-17-15-26)19-6-10-21(31-3)11-7-19/h6-13,23H,4-5,14-18H2,1-3H3,(H,25,28).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 475.61 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 4587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).