N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide

C12H16Cl2N2O2S — CID 17407950

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-12(2,3)15-9(17)6-16(4)11(18)7-5-8(13)19-10(7)14/h5H,6H2,1-4H3,(H,15,17)
InChIKeyWZSQILLEIVWEFJ-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide (PubChem CID 17407950) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
PubChem CID17407950
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-12(2,3)15-9(17)6-16(4)11(18)7-5-8(13)19-10(7)14/h5H,6H2,1-4H3,(H,15,17)
InChIKeyWZSQILLEIVWEFJ-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide
CID 71863590
4-(2,5-Dichloro-3-thenoyl)-3-methyl-2-piperazinone
CID 44116488
4-(2,5-Dichlorothiophene-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863801
2-[4-(2,5-Dichlorothiophene-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 47078408
2,5-dichloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)thiophene-3-carboxamide
CID 51097659
N-tert-butyl-2,5-dichloro-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 75457383
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811652
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 120811653
2,5-dichloro-N-(2-fluoroethyl)thiophene-3-carboxamide
CID 130829968
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202
4-(2,5-Dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
CID 95979713

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide (CID 17407950) is N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide?
The InChIKey is WZSQILLEIVWEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-12(2,3)15-9(17)6-16(4)11(18)7-5-8(13)19-10(7)14/h5H,6H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide has a molecular weight of 323.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 17407950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).