N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H18ClNO2S — CID 112604497

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-8(9-5-6-10(13)17-9)14-11(15)7-16-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyZCFBYHSTUTUXTG-UHFFFAOYSA-N
MW275.80 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604497) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604497
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO2S/c1-8(9-5-6-10(13)17-9)14-11(15)7-16-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyZCFBYHSTUTUXTG-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 46419385
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119287389
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604497) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(NC(=O)COC(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is ZCFBYHSTUTUXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-8(9-5-6-10(13)17-9)14-11(15)7-16-12(2,3)4/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 275.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).