N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

C23H25N3O3S2 — CID 4963522

IUPACN-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1cccs1)N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c27-23(22-12-7-17-30-22)26-15-13-25(14-16-26)21(19-8-3-1-4-9-19)18-24-31(28,29)20-10-5-2-6-11-20/h1-12,17,21,24H,13-16,18H2
InChIKeyUFRSBMQBFGVFLF-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.23
Rot. Bonds7

About N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide

N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (PubChem CID 4963522) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
PubChem CID4963522
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
SMILESO=C(c1cccs1)N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S2/c27-23(22-12-7-17-30-22)26-15-13-25(14-16-26)21(19-8-3-1-4-9-19)18-24-31(28,29)20-10-5-2-6-11-20/h1-12,17,21,24H,13-16,18H2
InChIKeyUFRSBMQBFGVFLF-UHFFFAOYSA-N
XLogP3.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4830143
N-[2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 23604903
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9132808

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide (CID 4963522) is N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is O=C(c1cccs1)N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is UFRSBMQBFGVFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c27-23(22-12-7-17-30-22)26-15-13-25(14-16-26)21(19-8-3-1-4-9-19)18-24-31(28,29)20-10-5-2-6-11-20/h1-12,17,21,24H,13-16,18H2.
What are the key properties of N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide?
N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 455.61 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 4963522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).