N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

C21H21N3O3S2 — CID 2215718

IUPACN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1
InChIInChI=1S/C21H21N3O3S2/c25-21(20-7-4-16-28-20)22-17-8-10-19(11-9-17)29(26,27)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h1-11,16H,12-15H2,(H,22,25)
InChIKeyRPQUAINZBSMDCK-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide

N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (PubChem CID 2215718) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
PubChem CID2215718
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1
InChIInChI=1S/C21H21N3O3S2/c25-21(20-7-4-16-28-20)22-17-8-10-19(11-9-17)29(26,27)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h1-11,16H,12-15H2,(H,22,25)
InChIKeyRPQUAINZBSMDCK-UHFFFAOYSA-N
XLogP3.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
CID 4845797
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide (CID 2215718) is N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
The InChIKey is RPQUAINZBSMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-21(20-7-4-16-28-20)22-17-8-10-19(11-9-17)29(26,27)24-14-12-23(13-15-24)18-5-2-1-3-6-18/h1-11,16H,12-15H2,(H,22,25).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide?
N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2215718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).