ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate

C25H41N3O5S — CID 175823690

IUPACethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1(NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)CC
InChIInChI=1S/C25H41N3O5S/c1-9-22(29)25(15-26-11-12-28(25)24(30)33-10-2)27-34(31,32)23-20(17(5)6)13-19(16(3)4)14-21(23)18(7)8/h13-14,16-18,26-27H,9-12,15H2,1-8H3
InChIKeyIETVTNPQNBTBGB-UHFFFAOYSA-N
MW495.69 g/mol
LogP4.07
Rot. Bonds9

About ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate

ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate (PubChem CID 175823690) has the molecular formula C25H41N3O5S and a molecular weight of 495.69 g/mol. Its IUPAC name is ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate
PubChem CID175823690
Molecular FormulaC25H41N3O5S
Molecular Weight495.69 g/mol
Exact Mass495.28
IUPAC Nameethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1(NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)CC
InChIInChI=1S/C25H41N3O5S/c1-9-22(29)25(15-26-11-12-28(25)24(30)33-10-2)27-34(31,32)23-20(17(5)6)13-19(16(3)4)14-21(23)18(7)8/h13-14,16-18,26-27H,9-12,15H2,1-8H3
InChIKeyIETVTNPQNBTBGB-UHFFFAOYSA-N
XLogP4.07
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate?
The IUPAC name of ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate (CID 175823690) is ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate?
The canonical SMILES for ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate is CCOC(=O)N1CCNCC1(NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)CC.
What is the InChIKey of ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate?
The InChIKey is IETVTNPQNBTBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O5S/c1-9-22(29)25(15-26-11-12-28(25)24(30)33-10-2)27-34(31,32)23-20(17(5)6)13-19(16(3)4)14-21(23)18(7)8/h13-14,16-18,26-27H,9-12,15H2,1-8H3.
What are the key properties of ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate?
ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate has a molecular weight of 495.69 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propanoyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]piperazine-1-carboxylate is sourced from PubChem (CID 175823690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).