2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

C25H27N3O4S — CID 4796543

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O4S/c1-32-22-12-8-11-21(19-22)26-25(29)24(20-9-4-2-5-10-20)27-15-17-28(18-16-27)33(30,31)23-13-6-3-7-14-23/h2-14,19,24H,15-18H2,1H3,(H,26,29)
InChIKeyPWIMKPPTMQQPSP-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.38
Rot. Bonds7

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 4796543) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID4796543
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O4S/c1-32-22-12-8-11-21(19-22)26-25(29)24(20-9-4-2-5-10-20)27-15-17-28(18-16-27)33(30,31)23-13-6-3-7-14-23/h2-14,19,24H,15-18H2,1H3,(H,26,29)
InChIKeyPWIMKPPTMQQPSP-UHFFFAOYSA-N
XLogP3.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 41436170
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40814254
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 41000605
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 17490845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide (CID 4796543) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is COc1cccc(NC(=O)C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is PWIMKPPTMQQPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-22-12-8-11-21(19-22)26-25(29)24(20-9-4-2-5-10-20)27-15-17-28(18-16-27)33(30,31)23-13-6-3-7-14-23/h2-14,19,24H,15-18H2,1H3,(H,26,29).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 465.58 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 4796543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).