2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide

C23H30ClN3O5S — CID 651088

IUPAC2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C23H30ClN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29)
InChIKeyZUZWKPSYEQRTKN-UHFFFAOYSA-N
MW496.03 g/mol
LogP3.47
Rot. Bonds11

About 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide

2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 651088) has the molecular formula C23H30ClN3O5S and a molecular weight of 496.03 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
PubChem CID651088
Molecular FormulaC23H30ClN3O5S
Molecular Weight496.03 g/mol
Exact Mass495.16
IUPAC Name2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C23H30ClN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29)
InChIKeyZUZWKPSYEQRTKN-UHFFFAOYSA-N
XLogP3.47
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide (CID 651088) is 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide is CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is ZUZWKPSYEQRTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29).
What are the key properties of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide?
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 496.03 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-cyclopentylamino]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 651088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).