ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate

C23H36N4O5S — CID 31504732

IUPACethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1
InChIInChI=1S/C23H36N4O5S/c1-4-27(5-2)33(30,31)19-9-10-21(25-13-7-8-14-25)20(17-19)24-22(28)18-11-15-26(16-12-18)23(29)32-6-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28)
InChIKeyYVLJOKCGBQVTQV-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.12
Rot. Bonds8

About ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 31504732) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID31504732
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC Nameethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1
InChIInChI=1S/C23H36N4O5S/c1-4-27(5-2)33(30,31)19-9-10-21(25-13-7-8-14-25)20(17-19)24-22(28)18-11-15-26(16-12-18)23(29)32-6-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28)
InChIKeyYVLJOKCGBQVTQV-UHFFFAOYSA-N
XLogP3.12
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053446
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
CID 42948243
2,2,2-trifluoroethyl 4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]carbamoyl]piperidine-1-carboxylate
CID 24586987
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate (CID 31504732) is ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)CC1.
What is the InChIKey of ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YVLJOKCGBQVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-4-27(5-2)33(30,31)19-9-10-21(25-13-7-8-14-25)20(17-19)24-22(28)18-11-15-26(16-12-18)23(29)32-6-3/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,24,28).
What are the key properties of ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 480.63 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 31504732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).