N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C24H25N3O4S2 — CID 30711252

IUPACN-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1C
InChIInChI=1S/C24H25N3O4S2/c1-17-8-9-21(15-18(17)2)33(30,31)27-12-10-26(11-13-27)24(29)19-5-3-6-20(16-19)25-23(28)22-7-4-14-32-22/h3-9,14-16H,10-13H2,1-2H3,(H,25,28)
InChIKeyIYNSSEKNRNIHNL-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 30711252) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID30711252
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1C
InChIInChI=1S/C24H25N3O4S2/c1-17-8-9-21(15-18(17)2)33(30,31)27-12-10-26(11-13-27)24(29)19-5-3-6-20(16-19)25-23(28)22-7-4-14-32-22/h3-9,14-16H,10-13H2,1-2H3,(H,25,28)
InChIKeyIYNSSEKNRNIHNL-UHFFFAOYSA-N
XLogP3.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 4921124
N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 27231517
N-[3-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 46532752
N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 78804920
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119647658
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]thiophene-2-carboxamide
CID 8732814
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 30711252) is N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1C.
What is the InChIKey of N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is IYNSSEKNRNIHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-17-8-9-21(15-18(17)2)33(30,31)27-12-10-26(11-13-27)24(29)19-5-3-6-20(16-19)25-23(28)22-7-4-14-32-22/h3-9,14-16H,10-13H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30711252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).