N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide

C26H28N2O3S2 — CID 2932332

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H28N2O3S2/c1-20-16-18-28(19-17-20)33(30,31)24-14-12-22(13-15-24)27-26(29)25(21-8-4-2-5-9-21)32-23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3,(H,27,29)
InChIKeyIPDBOWBKKCRGBA-UHFFFAOYSA-N
MW480.66 g/mol
LogP5.58
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2932332) has the molecular formula C26H28N2O3S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2932332
Molecular FormulaC26H28N2O3S2
Molecular Weight480.66 g/mol
Exact Mass480.15
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)CC1
InChIInChI=1S/C26H28N2O3S2/c1-20-16-18-28(19-17-20)33(30,31)24-14-12-22(13-15-24)27-26(29)25(21-8-4-2-5-9-21)32-23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3,(H,27,29)
InChIKeyIPDBOWBKKCRGBA-UHFFFAOYSA-N
XLogP5.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 17311826
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2928700
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672
(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
(2R)-2-(2-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 42505330
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 30857945
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 2932332) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is IPDBOWBKKCRGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S2/c1-20-16-18-28(19-17-20)33(30,31)24-14-12-22(13-15-24)27-26(29)25(21-8-4-2-5-9-21)32-23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3,(H,27,29).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 480.66 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2932332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).