N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

C23H23F2N3O3S2 — CID 53076852

IUPACN-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C23H23F2N3O3S2/c1-15-3-4-16(2)20(13-15)27-8-10-28(11-9-27)33(30,31)21-7-12-32-22(21)23(29)26-17-5-6-18(24)19(25)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)
InChIKeyHDPVXRZZFMYDLY-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.41
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 53076852) has the molecular formula C23H23F2N3O3S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID53076852
Molecular FormulaC23H23F2N3O3S2
Molecular Weight491.59 g/mol
Exact Mass491.11
IUPAC NameN-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C23H23F2N3O3S2/c1-15-3-4-16(2)20(13-15)27-8-10-28(11-9-27)33(30,31)21-7-12-32-22(21)23(29)26-17-5-6-18(24)19(25)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)
InChIKeyHDPVXRZZFMYDLY-UHFFFAOYSA-N
XLogP4.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 27373993
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
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 27373996
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(2-methylphenyl)benzamide
CID 3275797
N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60594204
methyl 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate
CID 50928521
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076860
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4089871

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 53076852) is N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is HDPVXRZZFMYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S2/c1-15-3-4-16(2)20(13-15)27-8-10-28(11-9-27)33(30,31)21-7-12-32-22(21)23(29)26-17-5-6-18(24)19(25)14-17/h3-7,12-14H,8-11H2,1-2H3,(H,26,29).
What are the key properties of N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53076852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).