N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide

C23H29ClN2OS — CID 24842558

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H29ClN2OS/c24-20-11-13-22(14-12-20)28-19-18-26(21-8-3-1-4-9-21)23(27)10-7-17-25-15-5-2-6-16-25/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2
InChIKeyYYHPYZXLMIGNBA-UHFFFAOYSA-N
MW417.02 g/mol
LogP5.73
Rot. Bonds9

About N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide (PubChem CID 24842558) has the molecular formula C23H29ClN2OS and a molecular weight of 417.02 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide
PubChem CID24842558
Molecular FormulaC23H29ClN2OS
Molecular Weight417.02 g/mol
Exact Mass416.17
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H29ClN2OS/c24-20-11-13-22(14-12-20)28-19-18-26(21-8-3-1-4-9-21)23(27)10-7-17-25-15-5-2-6-16-25/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2
InChIKeyYYHPYZXLMIGNBA-UHFFFAOYSA-N
XLogP5.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.02
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide (CID 24842558) is N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)N(CCSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide?
The InChIKey is YYHPYZXLMIGNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2OS/c24-20-11-13-22(14-12-20)28-19-18-26(21-8-3-1-4-9-21)23(27)10-7-17-25-15-5-2-6-16-25/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide has a molecular weight of 417.02 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 24842558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).