N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide

C24H29N3O3S2 — CID 69194399

IUPACN-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
SMILESCCOc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-4-30-23-12-9-20(27-15-17(2)25-18(3)16-27)14-22(23)26-32(28,29)21-10-7-19(8-11-21)24-6-5-13-31-24/h5-14,17-18,25-26H,4,15-16H2,1-3H3
InChIKeyFPQRDSVYFZQCOD-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.80
Rot. Bonds7

About N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide

N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide (PubChem CID 69194399) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
PubChem CID69194399
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
SMILESCCOc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H29N3O3S2/c1-4-30-23-12-9-20(27-15-17(2)25-18(3)16-27)14-22(23)26-32(28,29)21-10-7-19(8-11-21)24-6-5-13-31-24/h5-14,17-18,25-26H,4,15-16H2,1-3H3
InChIKeyFPQRDSVYFZQCOD-UHFFFAOYSA-N
XLogP4.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-6-thiophen-2-ylpyridine-3-sulfonamide
CID 69195081
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluoro-4-methoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide
CID 69198105
N-[5-(3,5-dimethylpiperazin-1-yl)-2-fluorophenyl]-2-fluoro-4-thiophen-2-ylbenzenesulfonamide
CID 69195301
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyridin-2-ylbenzenesulfonamide
CID 142687146
4-(3-chloro-4-fluorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]benzenesulfonamide
CID 69194576
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-3-fluoro-4-(5-methylthiophen-3-yl)benzenesulfonamide
CID 69194599
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-2-methyl-4-(4-methylthiophen-2-yl)benzenesulfonamide
CID 69197763
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-methyl-4-thiophen-3-ylbenzenesulfonamide
CID 69197149
4-bromo-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-fluorobenzenesulfonamide
CID 59007060
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-3-methyl-4-(5-methylthiophen-2-yl)benzenesulfonamide
CID 69195885
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(3-methylphenyl)thiophene-2-sulfonamide
CID 69197089
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-2-methoxy-4-thiophen-2-ylbenzenesulfonamide;4-(furan-3-yl)-2-methoxybenzenesulfonamide
CID 69445654

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide (CID 69194399) is N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide is CCOc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide?
The InChIKey is FPQRDSVYFZQCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-4-30-23-12-9-20(27-15-17(2)25-18(3)16-27)14-22(23)26-32(28,29)21-10-7-19(8-11-21)24-6-5-13-31-24/h5-14,17-18,25-26H,4,15-16H2,1-3H3.
What are the key properties of N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide?
N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide has a molecular weight of 471.65 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperazin-1-yl)-2-ethoxyphenyl]-4-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 69194399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).