2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide

C12H18ClNO2S2 — CID 115700723

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
SMILESCCCC(O)CNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S2/c1-2-3-9(15)6-14-12(16)8-17-7-10-4-5-11(13)18-10/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyDJSIIHJEQFHZEM-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.91
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide (PubChem CID 115700723) has the molecular formula C12H18ClNO2S2 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
PubChem CID115700723
Molecular FormulaC12H18ClNO2S2
Molecular Weight307.87 g/mol
Exact Mass307.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
SMILESCCCC(O)CNC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S2/c1-2-3-9(15)6-14-12(16)8-17-7-10-4-5-11(13)18-10/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyDJSIIHJEQFHZEM-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
2-[[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65218089
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-2-ethylbutanoic acid
CID 79806357
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039019
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791657
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 37017604

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide (CID 115700723) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide is CCCC(O)CNC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide?
The InChIKey is DJSIIHJEQFHZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S2/c1-2-3-9(15)6-14-12(16)8-17-7-10-4-5-11(13)18-10/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide has a molecular weight of 307.87 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide is sourced from PubChem (CID 115700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).