(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide

C21H27N3O4S — CID 8687503

IUPAC(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-22(2)21(25)20(17-7-5-4-6-8-17)23-13-15-24(16-14-23)29(26,27)19-11-9-18(28-3)10-12-19/h4-12,20H,13-16H2,1-3H3/t20-/m1/s1
InChIKeyMIVINKGSYDGJTQ-HXUWFJFHSA-N
MW417.53 g/mol
LogP1.83
Rot. Bonds6

About (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 8687503) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID8687503
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-22(2)21(25)20(17-7-5-4-6-8-17)23-13-15-24(16-14-23)29(26,27)19-11-9-18(28-3)10-12-19/h4-12,20H,13-16H2,1-3H3/t20-/m1/s1
InChIKeyMIVINKGSYDGJTQ-HXUWFJFHSA-N
XLogP1.83
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 55387320
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 9333089
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 43074722
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 66755284
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 8687503) is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide is COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is MIVINKGSYDGJTQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-22(2)21(25)20(17-7-5-4-6-8-17)23-13-15-24(16-14-23)29(26,27)19-11-9-18(28-3)10-12-19/h4-12,20H,13-16H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 417.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 8687503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).