2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide

C25H33N3O5S — CID 3207206

IUPAC2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-19(2)24(25(30)26-16-21-12-9-15-33-21)28(18-20-10-5-3-6-11-20)23(29)17-27-34(31,32)22-13-7-4-8-14-22/h3-8,10-11,13-14,19,21,24,27H,9,12,15-18H2,1-2H3,(H,26,30)
InChIKeyOYBWUKVSCXBGPO-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.31
Rot. Bonds11

About 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide

2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3207206) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3207206
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H33N3O5S/c1-19(2)24(25(30)26-16-21-12-9-15-33-21)28(18-20-10-5-3-6-11-20)23(29)17-27-34(31,32)22-13-7-4-8-14-22/h3-8,10-11,13-14,19,21,24,27H,9,12,15-18H2,1-2H3,(H,26,30)
InChIKeyOYBWUKVSCXBGPO-UHFFFAOYSA-N
XLogP2.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.31
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]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 3207206) is 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CC(C)C(C(=O)NCC1CCCO1)N(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is OYBWUKVSCXBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-19(2)24(25(30)26-16-21-12-9-15-33-21)28(18-20-10-5-3-6-11-20)23(29)17-27-34(31,32)22-13-7-4-8-14-22/h3-8,10-11,13-14,19,21,24,27H,9,12,15-18H2,1-2H3,(H,26,30).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
2-[[2-(benzenesulfonamido)acetyl]-benzylamino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 487.62 g/mol, XLogP of 2.31, 11 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]-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3207206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).