N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide

C26H27ClN2O3S — CID 68874156

IUPACN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C(c2ccccc2)c2ccccc2)CCCNC1
InChIInChI=1S/C26H27ClN2O3S/c1-19-22(27)14-8-15-23(19)33(31,32)26(16-9-17-28-18-26)29-25(30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,24,28H,9,16-18H2,1H3,(H,29,30)/t26-/m0/s1
InChIKeyQZNTZQGXQRFCEA-SANMLTNESA-N
MW483.03 g/mol
LogP4.45
Rot. Bonds6

About N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide

N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide (PubChem CID 68874156) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide
PubChem CID68874156
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C(c2ccccc2)c2ccccc2)CCCNC1
InChIInChI=1S/C26H27ClN2O3S/c1-19-22(27)14-8-15-23(19)33(31,32)26(16-9-17-28-18-26)29-25(30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,24,28H,9,16-18H2,1H3,(H,29,30)/t26-/m0/s1
InChIKeyQZNTZQGXQRFCEA-SANMLTNESA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.03
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide (CID 68874156) is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide is Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C(c2ccccc2)c2ccccc2)CCCNC1.
What is the InChIKey of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is QZNTZQGXQRFCEA-SANMLTNESA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c1-19-22(27)14-8-15-23(19)33(31,32)26(16-9-17-28-18-26)29-25(30)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-8,10-15,24,28H,9,16-18H2,1H3,(H,29,30)/t26-/m0/s1.
What are the key properties of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide?
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 483.03 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 68874156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).