ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate

C16H23N3O5S — CID 2977126

IUPACethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O5S/c1-2-24-16(21)19-12-10-18(11-13-19)15(20)8-9-17-25(22,23)14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3
InChIKeyBZDYIEUHNNTMJU-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.66
Rot. Bonds6

About ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate (PubChem CID 2977126) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate
PubChem CID2977126
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Nameethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O5S/c1-2-24-16(21)19-12-10-18(11-13-19)15(20)8-9-17-25(22,23)14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3
InChIKeyBZDYIEUHNNTMJU-UHFFFAOYSA-N
XLogP0.66
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate (CID 2977126) is ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate?
The InChIKey is BZDYIEUHNNTMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-2-24-16(21)19-12-10-18(11-13-19)15(20)8-9-17-25(22,23)14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3.
What are the key properties of ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(benzenesulfonamido)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 2977126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).