N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

C26H26Cl2N2O4S — CID 10165500

IUPACN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(Cc1ccco1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26Cl2N2O4S/c27-19-5-3-18(4-6-19)26(33)11-13-30(14-12-26)25(32)23(16-21-2-1-15-34-21)29-24(31)17-35-22-9-7-20(28)8-10-22/h1-10,15,23,33H,11-14,16-17H2,(H,29,31)
InChIKeyRSTNXCVCIQOPST-UHFFFAOYSA-N
MW533.48 g/mol
LogP4.92
Rot. Bonds8

About N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide

N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 10165500) has the molecular formula C26H26Cl2N2O4S and a molecular weight of 533.48 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID10165500
Molecular FormulaC26H26Cl2N2O4S
Molecular Weight533.48 g/mol
Exact Mass532.10
IUPAC NameN-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC(Cc1ccco1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26Cl2N2O4S/c27-19-5-3-18(4-6-19)26(33)11-13-30(14-12-26)25(32)23(16-21-2-1-15-34-21)29-24(31)17-35-22-9-7-20(28)8-10-22/h1-10,15,23,33H,11-14,16-17H2,(H,29,31)
InChIKeyRSTNXCVCIQOPST-UHFFFAOYSA-N
XLogP4.92
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide (CID 10165500) is N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NC(Cc1ccco1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is RSTNXCVCIQOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O4S/c27-19-5-3-18(4-6-19)26(33)11-13-30(14-12-26)25(32)23(16-21-2-1-15-34-21)29-24(31)17-35-22-9-7-20(28)8-10-22/h1-10,15,23,33H,11-14,16-17H2,(H,29,31).
What are the key properties of N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 533.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-1-oxopropan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 10165500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).