N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

C23H25N3O5S2 — CID 27375353

IUPACN-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H25N3O5S2/c1-30-19-9-8-17(16-20(19)31-2)24-23(27)22-21(10-15-32-22)33(28,29)26-13-11-25(12-14-26)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyULISKBSMYMCWBJ-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.53
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 27375353) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID27375353
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H25N3O5S2/c1-30-19-9-8-17(16-20(19)31-2)24-23(27)22-21(10-15-32-22)33(28,29)26-13-11-25(12-14-26)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27)
InChIKeyULISKBSMYMCWBJ-UHFFFAOYSA-N
XLogP3.53
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076837
N-(3-cyanophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076838
methyl 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate
CID 50928521
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 7917108
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 53076938
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 13458385
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
N-[(4-methylsulfanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27374929

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 27375353) is N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is ULISKBSMYMCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-30-19-9-8-17(16-20(19)31-2)24-23(27)22-21(10-15-32-22)33(28,29)26-13-11-25(12-14-26)18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 27375353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).