2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide

C23H35N3O5S — CID 3207190

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H35N3O5S/c1-17(2)22(23(28)25-18-9-6-7-10-18)26(16-19-11-8-14-31-19)21(27)15-24-32(29,30)20-12-4-3-5-13-20/h3-5,12-13,17-19,22,24H,6-11,14-16H2,1-2H3,(H,25,28)
InChIKeyCBQNLVCRSRDIEH-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.06
Rot. Bonds10

About 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide

2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide (PubChem CID 3207190) has the molecular formula C23H35N3O5S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide
PubChem CID3207190
Molecular FormulaC23H35N3O5S
Molecular Weight465.62 g/mol
Exact Mass465.23
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H35N3O5S/c1-17(2)22(23(28)25-18-9-6-7-10-18)26(16-19-11-8-14-31-19)21(27)15-24-32(29,30)20-12-4-3-5-13-20/h3-5,12-13,17-19,22,24H,6-11,14-16H2,1-2H3,(H,25,28)
InChIKeyCBQNLVCRSRDIEH-UHFFFAOYSA-N
XLogP2.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide (CID 3207190) is 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide is CC(C)C(C(=O)NC1CCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide?
The InChIKey is CBQNLVCRSRDIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5S/c1-17(2)22(23(28)25-18-9-6-7-10-18)26(16-19-11-8-14-31-19)21(27)15-24-32(29,30)20-12-4-3-5-13-20/h3-5,12-13,17-19,22,24H,6-11,14-16H2,1-2H3,(H,25,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide?
2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide has a molecular weight of 465.62 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclopentyl-3-methylbutanamide is sourced from PubChem (CID 3207190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).