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

C17H21N3O3S2 — CID 6486055

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3csc(C(N)=O)c3)CC2)c1C
InChIInChI=1S/C17H21N3O3S2/c1-12-4-3-5-15(13(12)2)19-6-8-20(9-7-19)25(22,23)14-10-16(17(18)21)24-11-14/h3-5,10-11H,6-9H2,1-2H3,(H2,18,21)
InChIKeyWTTLINAOOIWTDJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.97
Rot. Bonds4

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

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 6486055) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID6486055
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1cccc(N2CCN(S(=O)(=O)c3csc(C(N)=O)c3)CC2)c1C
InChIInChI=1S/C17H21N3O3S2/c1-12-4-3-5-15(13(12)2)19-6-8-20(9-7-19)25(22,23)14-10-16(17(18)21)24-11-14/h3-5,10-11H,6-9H2,1-2H3,(H2,18,21)
InChIKeyWTTLINAOOIWTDJ-UHFFFAOYSA-N
XLogP1.97
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 15988657
N-[1,4-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 5176545
1-(2,3-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 673619
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]thiophene-2-carboxamide
CID 979496
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 6486055) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is Cc1cccc(N2CCN(S(=O)(=O)c3csc(C(N)=O)c3)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is WTTLINAOOIWTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-4-3-5-15(13(12)2)19-6-8-20(9-7-19)25(22,23)14-10-16(17(18)21)24-11-14/h3-5,10-11H,6-9H2,1-2H3,(H2,18,21).
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6486055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).