2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide

C17H25NO2S2 — CID 146078017

IUPAC2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1(c2ccsc2)CCOCC1
InChIInChI=1S/C17H25NO2S2/c19-16(12-22-15-3-1-2-4-15)18-13-17(6-8-20-9-7-17)14-5-10-21-11-14/h5,10-11,15H,1-4,6-9,12-13H2,(H,18,19)
InChIKeyWAURRIINWAJTDJ-UHFFFAOYSA-N
MW339.53 g/mol
LogP3.59
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide

2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide (PubChem CID 146078017) has the molecular formula C17H25NO2S2 and a molecular weight of 339.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide
PubChem CID146078017
Molecular FormulaC17H25NO2S2
Molecular Weight339.53 g/mol
Exact Mass339.13
IUPAC Name2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1(c2ccsc2)CCOCC1
InChIInChI=1S/C17H25NO2S2/c19-16(12-22-15-3-1-2-4-15)18-13-17(6-8-20-9-7-17)14-5-10-21-11-14/h5,10-11,15H,1-4,6-9,12-13H2,(H,18,19)
InChIKeyWAURRIINWAJTDJ-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 86263808
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55911273
1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
CID 146078739
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 56502005
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide (CID 146078017) is 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide is O=C(CSC1CCCC1)NCC1(c2ccsc2)CCOCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide?
The InChIKey is WAURRIINWAJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S2/c19-16(12-22-15-3-1-2-4-15)18-13-17(6-8-20-9-7-17)14-5-10-21-11-14/h5,10-11,15H,1-4,6-9,12-13H2,(H,18,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide has a molecular weight of 339.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(4-thiophen-3-yloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 146078017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).