2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide

C16H21ClN2O2S2 — CID 46540052

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21ClN2O2S2/c17-14-4-3-13(23-14)9-22-10-15(20)18-12-5-7-19(8-6-12)16(21)11-1-2-11/h3-4,11-12H,1-2,5-10H2,(H,18,20)
InChIKeyIESOFBAKYPGMBE-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.15
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 46540052) has the molecular formula C16H21ClN2O2S2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
PubChem CID46540052
Molecular FormulaC16H21ClN2O2S2
Molecular Weight372.94 g/mol
Exact Mass372.07
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H21ClN2O2S2/c17-14-4-3-13(23-14)9-22-10-15(20)18-12-5-7-19(8-6-12)16(21)11-1-2-11/h3-4,11-12H,1-2,5-10H2,(H,18,20)
InChIKeyIESOFBAKYPGMBE-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
CID 78850861
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860458
methyl 1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylate
CID 112733684
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46419630
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
(5-chlorothiophen-2-yl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8787229
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 34136142
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527359
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide (CID 46540052) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide is O=C(CSCc1ccc(Cl)s1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is IESOFBAKYPGMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S2/c17-14-4-3-13(23-14)9-22-10-15(20)18-12-5-7-19(8-6-12)16(21)11-1-2-11/h3-4,11-12H,1-2,5-10H2,(H,18,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 372.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46540052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).