4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide

C18H20F2N4O4S2 — CID 46379772

IUPAC4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)s1
InChIInChI=1S/C18H20F2N4O4S2/c1-22(2)30(27,28)15-7-6-14(29-15)21-18(26)24-10-8-23(9-11-24)17(25)16-12(19)4-3-5-13(16)20/h3-7H,8-11H2,1-2H3,(H,21,26)
InChIKeyIFWHFSFOFIEBCW-UHFFFAOYSA-N
MW458.51 g/mol
LogP2.27
Rot. Bonds4

About 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide

4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide (PubChem CID 46379772) has the molecular formula C18H20F2N4O4S2 and a molecular weight of 458.51 g/mol. Its IUPAC name is 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide
PubChem CID46379772
Molecular FormulaC18H20F2N4O4S2
Molecular Weight458.51 g/mol
Exact Mass458.09
IUPAC Name4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)s1
InChIInChI=1S/C18H20F2N4O4S2/c1-22(2)30(27,28)15-7-6-14(29-15)21-18(26)24-10-8-23(9-11-24)17(25)16-12(19)4-3-5-13(16)20/h3-7H,8-11H2,1-2H3,(H,21,26)
InChIKeyIFWHFSFOFIEBCW-UHFFFAOYSA-N
XLogP2.27
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
N-[5-[cyclopropyl(methyl)sulfamoyl]thiophen-2-yl]-2-fluorobenzamide
CID 174855973
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379836
4-(pyridine-4-carbonyl)-N-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 46379780
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365561
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide (CID 46379772) is 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)s1.
What is the InChIKey of 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide?
The InChIKey is IFWHFSFOFIEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O4S2/c1-22(2)30(27,28)15-7-6-14(29-15)21-18(26)24-10-8-23(9-11-24)17(25)16-12(19)4-3-5-13(16)20/h3-7H,8-11H2,1-2H3,(H,21,26).
What are the key properties of 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide?
4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide has a molecular weight of 458.51 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 46379772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).