2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide

C10H13Cl2NO2S — CID 107963424

IUPAC2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-6(2)13(3-4-14)10(15)7-5-8(11)16-9(7)12/h5-6,14H,3-4H2,1-2H3
InChIKeyZOKGIMLFLYFRGS-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.90
Rot. Bonds4

About 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide

2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 107963424) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID107963424
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-6(2)13(3-4-14)10(15)7-5-8(11)16-9(7)12/h5-6,14H,3-4H2,1-2H3
InChIKeyZOKGIMLFLYFRGS-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 103790607
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 43573178
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
CID 43573631
N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
2-chloro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 112576318

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide (CID 107963424) is 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide is CC(C)N(CCO)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is ZOKGIMLFLYFRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-6(2)13(3-4-14)10(15)7-5-8(11)16-9(7)12/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 282.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 107963424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).