N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

C23H25N3O4S2 — CID 3242379

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-11-6-5-10-19(20)25-13-15-26(16-14-25)23(27)22(18-8-3-2-4-9-18)24-32(28,29)21-12-7-17-31-21/h2-12,17,22,24H,13-16H2,1H3
InChIKeyIUYTTWUJOWNUOS-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 3242379) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID3242379
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-11-6-5-10-19(20)25-13-15-26(16-14-25)23(27)22(18-8-3-2-4-9-18)24-32(28,29)21-12-7-17-31-21/h2-12,17,22,24H,13-16H2,1H3
InChIKeyIUYTTWUJOWNUOS-UHFFFAOYSA-N
XLogP3.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 3617239
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 5177115
N-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)thiophene-2-sulfonamide
CID 6621172
N~1~-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(2-thienylsulfonyl)amino]acetamide
CID 15988678
5-Bromo-N-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}thiophene-2-sulfonamide
CID 15988692
Flaviviruses-IN-2
CID 3378615
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-2-thiophen-3-yl-acetamide
CID 10247900

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide (CID 3242379) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is COc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is IUYTTWUJOWNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-30-20-11-6-5-10-19(20)25-13-15-26(16-14-25)23(27)22(18-8-3-2-4-9-18)24-32(28,29)21-12-7-17-31-21/h2-12,17,22,24H,13-16H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 471.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3242379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).