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

C14H20ClNO2S2 — CID 103860458

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCCCC1CO
InChIInChI=1S/C14H20ClNO2S2/c15-13-6-5-11(20-13)8-19-9-14(18)16-12-4-2-1-3-10(12)7-17/h5-6,10,12,17H,1-4,7-9H2,(H,16,18)
InChIKeyDJUCQFPCUAFYTD-UHFFFAOYSA-N
MW333.91 g/mol
LogP3.30
Rot. Bonds6

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 103860458) has the molecular formula C14H20ClNO2S2 and a molecular weight of 333.91 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID103860458
Molecular FormulaC14H20ClNO2S2
Molecular Weight333.91 g/mol
Exact Mass333.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCCCC1CO
InChIInChI=1S/C14H20ClNO2S2/c15-13-6-5-11(20-13)8-19-9-14(18)16-12-4-2-1-3-10(12)7-17/h5-6,10,12,17H,1-4,7-9H2,(H,16,18)
InChIKeyDJUCQFPCUAFYTD-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103774302
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 46540052
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46419630
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
CID 78850861
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527359
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-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperidine-2-carboxylic acid
CID 43171079
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039019

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 103860458) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide is O=C(CSCc1ccc(Cl)s1)NC1CCCCC1CO.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is DJUCQFPCUAFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S2/c15-13-6-5-11(20-13)8-19-9-14(18)16-12-4-2-1-3-10(12)7-17/h5-6,10,12,17H,1-4,7-9H2,(H,16,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 333.91 g/mol, XLogP of 3.30, 6 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-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 103860458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).