(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

C28H33N3O3S — CID 97067590

IUPAC(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C28H33N3O3S/c1-20-18-21(2)27(22(3)19-20)35(33,34)31-16-14-30(15-17-31)23(4)28(32)29-26-13-9-8-12-25(26)24-10-6-5-7-11-24/h5-13,18-19,23H,14-17H2,1-4H3,(H,29,32)/t23-/m0/s1
InChIKeyCBLQTOXAUVCLHZ-QHCPKHFHSA-N
MW491.66 g/mol
LogP4.61
Rot. Bonds6

About (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 97067590) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID97067590
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C28H33N3O3S/c1-20-18-21(2)27(22(3)19-20)35(33,34)31-16-14-30(15-17-31)23(4)28(32)29-26-13-9-8-12-25(26)24-10-6-5-7-11-24/h5-13,18-19,23H,14-17H2,1-4H3,(H,29,32)/t23-/m0/s1
InChIKeyCBLQTOXAUVCLHZ-QHCPKHFHSA-N
XLogP4.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24680007
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 42887079
(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512610
(2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 97072858
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9494294
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 97067590) is (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)c1.
What is the InChIKey of (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is CBLQTOXAUVCLHZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-20-18-21(2)27(22(3)19-20)35(33,34)31-16-14-30(15-17-31)23(4)28(32)29-26-13-9-8-12-25(26)24-10-6-5-7-11-24/h5-13,18-19,23H,14-17H2,1-4H3,(H,29,32)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 491.66 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 97067590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).