4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide

C24H31N3O5S — CID 3410238

IUPAC4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H31N3O5S/c1-17-5-10-20(15-21(17)33(30,31)27-11-13-32-14-12-27)26-22(28)16-25-23(29)18-6-8-19(9-7-18)24(2,3)4/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyOWFXMZKNIFYDLG-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.68
Rot. Bonds6

About 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide (PubChem CID 3410238) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide
PubChem CID3410238
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H31N3O5S/c1-17-5-10-20(15-21(17)33(30,31)27-11-13-32-14-12-27)26-22(28)16-25-23(29)18-6-8-19(9-7-18)24(2,3)4/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyOWFXMZKNIFYDLG-UHFFFAOYSA-N
XLogP2.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide (CID 3410238) is 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide?
The InChIKey is OWFXMZKNIFYDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-17-5-10-20(15-21(17)33(30,31)27-11-13-32-14-12-27)26-22(28)16-25-23(29)18-6-8-19(9-7-18)24(2,3)4/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3410238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).