methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate

C8H7Cl2NO3S — CID 21283503

IUPACmethyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2NO3S/c1-14-8(13)11-3-5(12)4-2-6(9)15-7(4)10/h2H,3H2,1H3,(H,11,13)
InChIKeyIEUJDXNFZLBZGM-UHFFFAOYSA-N
MW268.12 g/mol
LogP2.59
Rot. Bonds3

About methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate

methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate (PubChem CID 21283503) has the molecular formula C8H7Cl2NO3S and a molecular weight of 268.12 g/mol. Its IUPAC name is methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
PubChem CID21283503
Molecular FormulaC8H7Cl2NO3S
Molecular Weight268.12 g/mol
Exact Mass266.95
IUPAC Namemethyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2NO3S/c1-14-8(13)11-3-5(12)4-2-6(9)15-7(4)10/h2H,3H2,1H3,(H,11,13)
InChIKeyIEUJDXNFZLBZGM-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
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N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
1-(2,5-dichlorothiophen-3-yl)-2-(3-methoxy-3-methylbutoxy)ethanone
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1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801651
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
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1-(2,5-dichlorothiophen-3-yl)nonan-1-one
CID 65450253
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate (CID 21283503) is methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate is COC(=O)NCC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate?
The InChIKey is IEUJDXNFZLBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3S/c1-14-8(13)11-3-5(12)4-2-6(9)15-7(4)10/h2H,3H2,1H3,(H,11,13).
What are the key properties of methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate?
methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate has a molecular weight of 268.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 21283503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).