methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate

C17H18N2O5S2 — CID 9496457

IUPACmethyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O5S2/c1-24-17(21)14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)26(22,23)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3
InChIKeyFHKCJAFZEHLYJV-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.68
Rot. Bonds4

About methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate

methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate (PubChem CID 9496457) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
PubChem CID9496457
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC Namemethyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C17H18N2O5S2/c1-24-17(21)14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)26(22,23)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3
InChIKeyFHKCJAFZEHLYJV-UHFFFAOYSA-N
XLogP1.68
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 42087714
(4-methylphenyl)-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798322
[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4785102
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460
methyl 2,4-dimethyl-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate
CID 4788294
methyl 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 4825564
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
N-methyl-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide
CID 7944078

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate?
The IUPAC name of methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate (CID 9496457) is methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate?
The canonical SMILES for methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate is COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1.
What is the InChIKey of methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate?
The InChIKey is FHKCJAFZEHLYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-24-17(21)14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)26(22,23)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3.
What are the key properties of methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate?
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate has a molecular weight of 394.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate is sourced from PubChem (CID 9496457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).