(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide

C22H28N2O3S — CID 25490480

IUPAC(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-3-21(18-9-5-4-6-10-18)22(25)23-19-11-13-20(14-12-19)28(26,27)24-15-7-8-17(2)16-24/h4-6,9-14,17,21H,3,7-8,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1
InChIKeyFCRMXAOMIRBDID-DYESRHJHSA-N
MW400.54 g/mol
LogP4.24
Rot. Bonds6

About (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide

(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide (PubChem CID 25490480) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
PubChem CID25490480
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-3-21(18-9-5-4-6-10-18)22(25)23-19-11-13-20(14-12-19)28(26,27)24-15-7-8-17(2)16-24/h4-6,9-14,17,21H,3,7-8,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1
InChIKeyFCRMXAOMIRBDID-DYESRHJHSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 17311826
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
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
2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethene-1,1,2-tricarbonitrile
CID 168609162
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 40786037

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide (CID 25490480) is (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide?
The InChIKey is FCRMXAOMIRBDID-DYESRHJHSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-21(18-9-5-4-6-10-18)22(25)23-19-11-13-20(14-12-19)28(26,27)24-15-7-8-17(2)16-24/h4-6,9-14,17,21H,3,7-8,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1.
What are the key properties of (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide?
(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide has a molecular weight of 400.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide is sourced from PubChem (CID 25490480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).