2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C16H26N2O2S — CID 109397793

IUPAC2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(C)CC2CCCC2O)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)16(21-12(10)3)17-15(20)9-18(4)8-13-6-5-7-14(13)19/h13-14,19H,5-9H2,1-4H3,(H,17,20)
InChIKeyJEJZIVUUPCNJOZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.70
Rot. Bonds5

About 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 109397793) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID109397793
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(C)CC2CCCC2O)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)16(21-12(10)3)17-15(20)9-18(4)8-13-6-5-7-14(13)19/h13-14,19H,5-9H2,1-4H3,(H,17,20)
InChIKeyJEJZIVUUPCNJOZ-UHFFFAOYSA-N
XLogP2.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-pyridin-4-ylacetamide
CID 109397956
N-(2,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398482
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 109397914
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398195
N-(2,5-dichlorophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398107
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891
N-(2,3-dimethylcyclohexyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398199
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 111487456
2-[cyclopropyl-[2-oxo-2-[(3,4,5-trimethylthiophen-2-yl)amino]ethyl]amino]propanoic acid
CID 122100561
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-phenacylacetamide
CID 109397769
N-[(3-fluoro-4-methylphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398197
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 109397793) is 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN(C)CC2CCCC2O)c(C)c1C.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is JEJZIVUUPCNJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-11(2)16(21-12(10)3)17-15(20)9-18(4)8-13-6-5-7-14(13)19/h13-14,19H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 310.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 109397793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).