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

C26H29N3O3S — CID 25372783

IUPAC(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3S/c1-21(26(30)27-25-15-9-8-14-24(25)23-12-6-3-7-13-23)28-16-18-29(19-17-28)33(31,32)20-22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyOUFQOTIUYKLFGI-OAQYLSRUSA-N
MW463.60 g/mol
LogP3.83
Rot. Bonds7

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

(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide (PubChem CID 25372783) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
PubChem CID25372783
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3S/c1-21(26(30)27-25-15-9-8-14-24(25)23-12-6-3-7-13-23)28-16-18-29(19-17-28)33(31,32)20-22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyOUFQOTIUYKLFGI-OAQYLSRUSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97067590
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 9443234
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 26371067
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
CID 60501385
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
2-(4-benzylsulfonylpiperazin-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24654199
(2S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30626970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide (CID 25372783) is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide is C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
The InChIKey is OUFQOTIUYKLFGI-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-21(26(30)27-25-15-9-8-14-24(25)23-12-6-3-7-13-23)28-16-18-29(19-17-28)33(31,32)20-22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3,(H,27,30)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide?
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide has a molecular weight of 463.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 25372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).