2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide

C23H38N4O5S — CID 3207184

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H38N4O5S/c1-18(2)21(22(29)25-23(3,4)5)27(12-11-26-13-15-32-16-14-26)20(28)17-24-33(30,31)19-9-7-6-8-10-19/h6-10,18,21,24H,11-17H2,1-5H3,(H,25,29)
InChIKeyRYZIBAOEMAHGGL-UHFFFAOYSA-N
MW482.65 g/mol
LogP1.07
Rot. Bonds10

About 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide

2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide (PubChem CID 3207184) has the molecular formula C23H38N4O5S and a molecular weight of 482.65 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide
PubChem CID3207184
Molecular FormulaC23H38N4O5S
Molecular Weight482.65 g/mol
Exact Mass482.26
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)(C)C)N(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H38N4O5S/c1-18(2)21(22(29)25-23(3,4)5)27(12-11-26-13-15-32-16-14-26)20(28)17-24-33(30,31)19-9-7-6-8-10-19/h6-10,18,21,24H,11-17H2,1-5H3,(H,25,29)
InChIKeyRYZIBAOEMAHGGL-UHFFFAOYSA-N
XLogP1.07
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide with MolForge

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Related Compounds

CID 44287809
CID 44287809
CID 3095245
CID 3095245
CID 3207003
CID 3207003
CID 3207190
CID 3207190
CID 4878801
CID 4878801
CID 6493539
CID 6493539
CID 20970535
CID 20970535
CID 3157916
CID 3157916
CID 3163710
CID 3163710
CID 16243064
CID 16243064
CID 651522
CID 651522
CID 2186538
CID 2186538

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide (CID 3207184) is 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide is CC(C)C(C(=O)NC(C)(C)C)N(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide?
The InChIKey is RYZIBAOEMAHGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O5S/c1-18(2)21(22(29)25-23(3,4)5)27(12-11-26-13-15-32-16-14-26)20(28)17-24-33(30,31)19-9-7-6-8-10-19/h6-10,18,21,24H,11-17H2,1-5H3,(H,25,29).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide?
2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide has a molecular weight of 482.65 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butyl-3-methylbutanamide is sourced from PubChem (CID 3207184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).