ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate

C18H27N3O5S — CID 9093923

IUPACethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C18H27N3O5S/c1-4-21(5-2)27(24,25)16-9-7-15(8-10-16)17(22)19-11-13-20(14-12-19)18(23)26-6-3/h7-10H,4-6,11-14H2,1-3H3
InChIKeyDFHMGKARBHNYIG-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.63
Rot. Bonds6

About ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate (PubChem CID 9093923) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
PubChem CID9093923
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Nameethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C18H27N3O5S/c1-4-21(5-2)27(24,25)16-9-7-15(8-10-16)17(22)19-11-13-20(14-12-19)18(23)26-6-3/h7-10H,4-6,11-14H2,1-3H3
InChIKeyDFHMGKARBHNYIG-UHFFFAOYSA-N
XLogP1.63
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30868024
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 47014257
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
ethyl 4-[4-(diethylsulfamoyl)-2-nitrophenyl]piperazine-1-carboxylate
CID 46797953
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate (CID 9093923) is ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
The InChIKey is DFHMGKARBHNYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-4-21(5-2)27(24,25)16-9-7-15(8-10-16)17(22)19-11-13-20(14-12-19)18(23)26-6-3/h7-10H,4-6,11-14H2,1-3H3.
What are the key properties of ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 9093923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).