(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide

C24H26N4OS — CID 25396956

IUPAC(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cn2)CC1
InChIInChI=1S/C24H26N4OS/c1-27-14-16-28(17-15-27)22-13-12-20(18-25-22)26-24(29)23(19-8-4-2-5-9-19)30-21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3,(H,26,29)/t23-/m1/s1
InChIKeyQZLSKYGTIHLHOO-HSZRJFAPSA-N
MW418.57 g/mol
LogP4.31
Rot. Bonds6

About (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 25396956) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID25396956
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCN1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cn2)CC1
InChIInChI=1S/C24H26N4OS/c1-27-14-16-28(17-15-27)22-13-12-20(18-25-22)26-24(29)23(19-8-4-2-5-9-19)30-21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3,(H,26,29)/t23-/m1/s1
InChIKeyQZLSKYGTIHLHOO-HSZRJFAPSA-N
XLogP4.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide (CID 25396956) is (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide is CN1CCN(c2ccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cn2)CC1.
What is the InChIKey of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is QZLSKYGTIHLHOO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-27-14-16-28(17-15-27)22-13-12-20(18-25-22)26-24(29)23(19-8-4-2-5-9-19)30-21-10-6-3-7-11-21/h2-13,18,23H,14-17H2,1H3,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 418.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 25396956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).