ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate

C17H25N3O5S — CID 110295888

IUPACethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H25N3O5S/c1-5-25-17(22)20-10-8-19(9-11-20)16(21)14-7-6-13(2)15(12-14)26(23,24)18(3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyGGVXEOQJDGVXKL-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.16
Rot. Bonds4

About ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate

ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate (PubChem CID 110295888) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
PubChem CID110295888
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nameethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H25N3O5S/c1-5-25-17(22)20-10-8-19(9-11-20)16(21)14-7-6-13(2)15(12-14)26(23,24)18(3)4/h6-7,12H,5,8-11H2,1-4H3
InChIKeyGGVXEOQJDGVXKL-UHFFFAOYSA-N
XLogP1.16
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(dimethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 3308115
N,N,2-trimethyl-5-(1-oxo-1,4-thiazinane-4-carbonyl)benzenesulfonamide
CID 110721530
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
tert-butyl 4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]piperazine-1-carboxylate
CID 46685805
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
N,N-diethyl-5-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 55849954
N,N-diethyl-5-(4-methoxypiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 55480785
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110646920
ethyl 4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808937

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate (CID 110295888) is ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate?
The InChIKey is GGVXEOQJDGVXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-5-25-17(22)20-10-8-19(9-11-20)16(21)14-7-6-13(2)15(12-14)26(23,24)18(3)4/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate?
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate has a molecular weight of 383.47 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110295888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).