2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide

C20H31ClN2OS — CID 132762741

IUPAC2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1CC
InChIInChI=1S/C20H31ClN2OS/c1-3-17-8-5-6-14-23(17)15-7-13-22-20(24)19(4-2)25-18-11-9-16(21)10-12-18/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyTWYOXYUIWIIMBY-UHFFFAOYSA-N
MW383.00 g/mol
LogP4.98
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide (PubChem CID 132762741) has the molecular formula C20H31ClN2OS and a molecular weight of 383.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
PubChem CID132762741
Molecular FormulaC20H31ClN2OS
Molecular Weight383.00 g/mol
Exact Mass382.18
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1CC
InChIInChI=1S/C20H31ClN2OS/c1-3-17-8-5-6-14-23(17)15-7-13-22-20(24)19(4-2)25-18-11-9-16(21)10-12-18/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyTWYOXYUIWIIMBY-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.00
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 28631806
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 99952119
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
2-(4-chlorophenyl)sulfanyl-N-(cyclohexylmethyl)butanamide
CID 133235793
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125042996
(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43898491
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide (CID 132762741) is 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1CC.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide?
The InChIKey is TWYOXYUIWIIMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2OS/c1-3-17-8-5-6-14-23(17)15-7-13-22-20(24)19(4-2)25-18-11-9-16(21)10-12-18/h9-12,17,19H,3-8,13-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide has a molecular weight of 383.00 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 132762741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).