3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

C16H19N3O3S2 — CID 53076897

IUPAC3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1
InChIInChI=1S/C16H19N3O3S2/c1-12-3-2-4-13(11-12)18-6-8-19(9-7-18)24(21,22)14-5-10-23-15(14)16(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20)
InChIKeyAGOITPUUNKSLLS-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.67
Rot. Bonds4

About 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 53076897) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID53076897
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1
InChIInChI=1S/C16H19N3O3S2/c1-12-3-2-4-13(11-12)18-6-8-19(9-7-18)24(21,22)14-5-10-23-15(14)16(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20)
InChIKeyAGOITPUUNKSLLS-UHFFFAOYSA-N
XLogP1.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076904
N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076901
methyl 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate
CID 50928521
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45308206
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 53076938
N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 27305949
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
CID 60572430

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 53076897) is 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(N)=O)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is AGOITPUUNKSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-12-3-2-4-13(11-12)18-6-8-19(9-7-18)24(21,22)14-5-10-23-15(14)16(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20).
What are the key properties of 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53076897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).