2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide

C23H38N4O5S — CID 3207185

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H38N4O5S/c1-5-9-20(22(29)25-23(2,3)4)27(13-12-26-14-16-32-17-15-26)21(28)18-24-33(30,31)19-10-7-6-8-11-19/h6-8,10-11,20,24H,5,9,12-18H2,1-4H3,(H,25,29)
InChIKeyLHAUSOFPGKZNKS-UHFFFAOYSA-N
MW482.65 g/mol
LogP1.21
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide

2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide (PubChem CID 3207185) 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-butylpentanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide
PubChem CID3207185
Molecular FormulaC23H38N4O5S
Molecular Weight482.65 g/mol
Exact Mass482.26
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide
SMILESCCCC(C(=O)NC(C)(C)C)N(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H38N4O5S/c1-5-9-20(22(29)25-23(2,3)4)27(13-12-26-14-16-32-17-15-26)21(28)18-24-33(30,31)19-10-7-6-8-11-19/h6-8,10-11,20,24H,5,9,12-18H2,1-4H3,(H,25,29)
InChIKeyLHAUSOFPGKZNKS-UHFFFAOYSA-N
XLogP1.21
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide (CID 3207185) is 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide is CCCC(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-butylpentanamide?
The InChIKey is LHAUSOFPGKZNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O5S/c1-5-9-20(22(29)25-23(2,3)4)27(13-12-26-14-16-32-17-15-26)21(28)18-24-33(30,31)19-10-7-6-8-11-19/h6-8,10-11,20,24H,5,9,12-18H2,1-4H3,(H,25,29).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide?
2-[[2-(benzenesulfonamido)acetyl]-(2-morpholin-4-ylethyl)amino]-N-tert-butylpentanamide has a molecular weight of 482.65 g/mol, XLogP of 1.21, 11 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-butylpentanamide is sourced from PubChem (CID 3207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).