2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

C23H31N3O5S — CID 653272

IUPAC2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H31N3O5S/c1-17(2)22(23(28)24-15-19-11-8-14-31-19)26(18-9-6-7-10-18)21(27)16-25-32(29,30)20-12-4-3-5-13-20/h3-5,8,11-14,17-18,22,25H,6-7,9-10,15-16H2,1-2H3,(H,24,28)
InChIKeyYPQIHAPSKLWLTQ-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.67
Rot. Bonds10

About 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 653272) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID653272
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H31N3O5S/c1-17(2)22(23(28)24-15-19-11-8-14-31-19)26(18-9-6-7-10-18)21(27)16-25-32(29,30)20-12-4-3-5-13-20/h3-5,8,11-14,17-18,22,25H,6-7,9-10,15-16H2,1-2H3,(H,24,28)
InChIKeyYPQIHAPSKLWLTQ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 653272) is 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is YPQIHAPSKLWLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-17(2)22(23(28)24-15-19-11-8-14-31-19)26(18-9-6-7-10-18)21(27)16-25-32(29,30)20-12-4-3-5-13-20/h3-5,8,11-14,17-18,22,25H,6-7,9-10,15-16H2,1-2H3,(H,24,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
2-[[2-(benzenesulfonamido)acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 461.58 g/mol, XLogP of 2.67, 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]-cyclopentylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).