2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide

C23H31N3O5S — CID 3207182

IUPAC2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31N3O5S/c1-2-21(23(28)24-16-19-12-9-15-31-19)26(18-10-5-3-6-11-18)22(27)17-25-32(29,30)20-13-7-4-8-14-20/h4,7-9,12-15,18,21,25H,2-3,5-6,10-11,16-17H2,1H3,(H,24,28)
InChIKeyZHZDRAIHGLSMGJ-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.81
Rot. Bonds10

About 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide

2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide (PubChem CID 3207182) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide
PubChem CID3207182
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31N3O5S/c1-2-21(23(28)24-16-19-12-9-15-31-19)26(18-10-5-3-6-11-18)22(27)17-25-32(29,30)20-13-7-4-8-14-20/h4,7-9,12-15,18,21,25H,2-3,5-6,10-11,16-17H2,1H3,(H,24,28)
InChIKeyZHZDRAIHGLSMGJ-UHFFFAOYSA-N
XLogP2.81
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.81
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]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide (CID 3207182) is 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is ZHZDRAIHGLSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-2-21(23(28)24-16-19-12-9-15-31-19)26(18-10-5-3-6-11-18)22(27)17-25-32(29,30)20-13-7-4-8-14-20/h4,7-9,12-15,18,21,25H,2-3,5-6,10-11,16-17H2,1H3,(H,24,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide?
2-[[2-(benzenesulfonamido)acetyl]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 461.58 g/mol, XLogP of 2.81, 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]-cyclohexylamino]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).