N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C24H25N3O4S2 — CID 55976998

IUPACN-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-17-6-9-20(10-7-17)25-33(30,31)21-5-3-4-19(16-21)23(28)26-12-14-27(15-13-26)24(29)22-11-8-18(2)32-22/h3-11,16,25H,12-15H2,1-2H3
InChIKeyDEXRMOILTFKYHY-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.76
Rot. Bonds5

About N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55976998) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55976998
Molecular FormulaC24H25N3O4S2
Molecular Weight483.62 g/mol
Exact Mass483.13
IUPAC NameN-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c2)cc1
InChIInChI=1S/C24H25N3O4S2/c1-17-6-9-20(10-7-17)25-33(30,31)21-5-3-4-19(16-21)23(28)26-12-14-27(15-13-26)24(29)22-11-8-18(2)32-22/h3-11,16,25H,12-15H2,1-2H3
InChIKeyDEXRMOILTFKYHY-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

Analyze N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 166193591
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55976998) is N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccc(C)s4)CC3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is DEXRMOILTFKYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-17-6-9-20(10-7-17)25-33(30,31)21-5-3-4-19(16-21)23(28)26-12-14-27(15-13-26)24(29)22-11-8-18(2)32-22/h3-11,16,25H,12-15H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide 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-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55976998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).