2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C20H26N2OS2 — CID 71787089

IUPAC2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H26N2OS2/c1-2-24-19-7-4-3-6-17(19)20(23)21-11-14-22-12-9-16(10-13-22)18-8-5-15-25-18/h3-8,15-16H,2,9-14H2,1H3,(H,21,23)
InChIKeyRVEOUXATSUIYJZ-UHFFFAOYSA-N
MW374.58 g/mol
LogP4.47
Rot. Bonds7

About 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 71787089) has the molecular formula C20H26N2OS2 and a molecular weight of 374.58 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID71787089
Molecular FormulaC20H26N2OS2
Molecular Weight374.58 g/mol
Exact Mass374.15
IUPAC Name2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESCCSc1ccccc1C(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H26N2OS2/c1-2-24-19-7-4-3-6-17(19)20(23)21-11-14-22-12-9-16(10-13-22)18-8-5-15-25-18/h3-8,15-16H,2,9-14H2,1H3,(H,21,23)
InChIKeyRVEOUXATSUIYJZ-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522812
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
2-ethylsulfanyl-N-[2-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 41028378
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 71787089) is 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is CCSc1ccccc1C(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is RVEOUXATSUIYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS2/c1-2-24-19-7-4-3-6-17(19)20(23)21-11-14-22-12-9-16(10-13-22)18-8-5-15-25-18/h3-8,15-16H,2,9-14H2,1H3,(H,21,23).
What are the key properties of 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 374.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71787089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).