N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide

C26H28N2O3S2 — CID 17311826

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)C1
InChIInChI=1S/C26H28N2O3S2/c1-20-9-8-18-28(19-20)33(30,31)24-16-14-22(15-17-24)27-26(29)25(21-10-4-2-5-11-21)32-23-12-6-3-7-13-23/h2-7,10-17,20,25H,8-9,18-19H2,1H3,(H,27,29)
InChIKeyMWRIQUXFBZYJFC-UHFFFAOYSA-N
MW480.66 g/mol
LogP5.58
Rot. Bonds7

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 17311826) has the molecular formula C26H28N2O3S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID17311826
Molecular FormulaC26H28N2O3S2
Molecular Weight480.66 g/mol
Exact Mass480.15
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)C1
InChIInChI=1S/C26H28N2O3S2/c1-20-9-8-18-28(19-20)33(30,31)24-16-14-22(15-17-24)27-26(29)25(21-10-4-2-5-11-21)32-23-12-6-3-7-13-23/h2-7,10-17,20,25H,8-9,18-19H2,1H3,(H,27,29)
InChIKeyMWRIQUXFBZYJFC-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

Analyze N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2932332
2-phenyl-2-phenylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2928700
(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
CID 25490480
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1320672
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide (CID 17311826) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)C(Sc3ccccc3)c3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is MWRIQUXFBZYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S2/c1-20-9-8-18-28(19-20)33(30,31)24-16-14-22(15-17-24)27-26(29)25(21-10-4-2-5-11-21)32-23-12-6-3-7-13-23/h2-7,10-17,20,25H,8-9,18-19H2,1H3,(H,27,29).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[4-(3-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-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 17311826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).