2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H25NO2S2 — CID 90610601

IUPAC2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC1CCCC1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H25NO2S2/c19-17(13-22-15-4-1-2-5-15)18(12-16-6-3-11-21-16)14-7-9-20-10-8-14/h3,6,11,14-15H,1-2,4-5,7-10,12-13H2
InChIKeyOBFYBBFFIPRTRJ-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.93
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 90610601) has the molecular formula C17H25NO2S2 and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID90610601
Molecular FormulaC17H25NO2S2
Molecular Weight339.53 g/mol
Exact Mass339.13
IUPAC Name2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSC1CCCC1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H25NO2S2/c19-17(13-22-15-4-1-2-5-15)18(12-16-6-3-11-21-16)14-7-9-20-10-8-14/h3,6,11,14-15H,1-2,4-5,7-10,12-13H2
InChIKeyOBFYBBFFIPRTRJ-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610612
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
3-(2,4-dioxopyrimidin-1-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610633
N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 73167808
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 90610601) is 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CSC1CCCC1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OBFYBBFFIPRTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S2/c19-17(13-22-15-4-1-2-5-15)18(12-16-6-3-11-21-16)14-7-9-20-10-8-14/h3,6,11,14-15H,1-2,4-5,7-10,12-13H2.
What are the key properties of 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 90610601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).