(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide

C21H24N4O3S — CID 9443234

IUPAC(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c1-17(21(26)23-20-9-7-18(15-22)8-10-20)24-11-13-25(14-12-24)29(27,28)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeySJRIRFKLWOSRIA-QGZVFWFLSA-N
MW412.52 g/mol
LogP2.03
Rot. Bonds6

About (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide

(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide (PubChem CID 9443234) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
PubChem CID9443234
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c1-17(21(26)23-20-9-7-18(15-22)8-10-20)24-11-13-25(14-12-24)29(27,28)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeySJRIRFKLWOSRIA-QGZVFWFLSA-N
XLogP2.03
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
N-(4-cyanophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 60976032
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
CID 60501385
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2R)-N-(4-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide (CID 9443234) is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide is C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
The InChIKey is SJRIRFKLWOSRIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-17(21(26)23-20-9-7-18(15-22)8-10-20)24-11-13-25(14-12-24)29(27,28)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide?
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide has a molecular weight of 412.52 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 9443234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).