3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide

C14H20ClNOS2 — CID 78850861

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
SMILESO=C(CCSCc1ccc(Cl)s1)NC1CCCCC1
InChIInChI=1S/C14H20ClNOS2/c15-13-7-6-12(19-13)10-18-9-8-14(17)16-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,17)
InChIKeyZMAGKZMXABWPMS-UHFFFAOYSA-N
MW317.91 g/mol
LogP4.47
Rot. Bonds6

About 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide

3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide (PubChem CID 78850861) has the molecular formula C14H20ClNOS2 and a molecular weight of 317.91 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
PubChem CID78850861
Molecular FormulaC14H20ClNOS2
Molecular Weight317.91 g/mol
Exact Mass317.07
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
SMILESO=C(CCSCc1ccc(Cl)s1)NC1CCCCC1
InChIInChI=1S/C14H20ClNOS2/c15-13-7-6-12(19-13)10-18-9-8-14(17)16-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,17)
InChIKeyZMAGKZMXABWPMS-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 54.47
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

3-[(3-chlorophenyl)methylsulfanyl]-N-cyclooctylpropanamide
CID 4219380
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 46540052
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860458
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
CID 95599592
N-cyclopentyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16908989
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46419630
3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide
CID 75369768
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62527359

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide (CID 78850861) is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide is O=C(CCSCc1ccc(Cl)s1)NC1CCCCC1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide?
The InChIKey is ZMAGKZMXABWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS2/c15-13-7-6-12(19-13)10-18-9-8-14(17)16-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2,(H,16,17).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide?
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide has a molecular weight of 317.91 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 78850861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).