ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate

C25H27N3O5S — CID 10367938

IUPACethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
InChIKeyVPSUMVGLQZVOCZ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.99
Rot. Bonds6

About ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 10367938) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate
PubChem CID10367938
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Nameethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29)
InChIKeyVPSUMVGLQZVOCZ-UHFFFAOYSA-N
XLogP3.99
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate (CID 10367938) is ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is VPSUMVGLQZVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-33-25(30)28-16-14-19(15-17-28)27-34(31,32)23-13-12-22(20-10-6-7-11-21(20)23)26-24(29)18-8-4-3-5-9-18/h3-13,19,27H,2,14-17H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 481.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-benzamidonaphthalen-1-yl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 10367938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).