2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide

C25H33N3O5S — CID 3207207

IUPAC2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-2-10-23(25(30)26-17-21-13-9-16-33-21)28(19-20-11-5-3-6-12-20)24(29)18-27-34(31,32)22-14-7-4-8-15-22/h3-8,11-12,14-15,21,23,27H,2,9-10,13,16-19H2,1H3,(H,26,30)
InChIKeyIGPWBSKWHJOVPF-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.46
Rot. Bonds12

About 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide

2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 3207207) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID3207207
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-2-10-23(25(30)26-17-21-13-9-16-33-21)28(19-20-11-5-3-6-12-20)24(29)18-27-34(31,32)22-14-7-4-8-15-22/h3-8,11-12,14-15,21,23,27H,2,9-10,13,16-19H2,1H3,(H,26,30)
InChIKeyIGPWBSKWHJOVPF-UHFFFAOYSA-N
XLogP2.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.46
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]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide (CID 3207207) is 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide is CCCC(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is IGPWBSKWHJOVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-2-10-23(25(30)26-17-21-13-9-16-33-21)28(19-20-11-5-3-6-12-20)24(29)18-27-34(31,32)22-14-7-4-8-15-22/h3-8,11-12,14-15,21,23,27H,2,9-10,13,16-19H2,1H3,(H,26,30).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide?
2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 487.62 g/mol, XLogP of 2.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 3207207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).