N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide

C11H17NO2S — CID 43573178

IUPACN-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-8(2)12(6-7-13)11(14)10-5-4-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3
InChIKeyDUEKBUQUWNUPAW-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.90
Rot. Bonds4

About N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide

N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 43573178) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID43573178
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(CCO)C(C)C)s1
InChIInChI=1S/C11H17NO2S/c1-8(2)12(6-7-13)11(14)10-5-4-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3
InChIKeyDUEKBUQUWNUPAW-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 43572932
1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
CID 136529240
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
5-[2-methoxyethyl(propan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 82959594
2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 107963424
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
(E)-N-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)-N-propan-2-ylprop-2-enamide
CID 54916473
N-(3-hydroxypropyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745102

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 43573178) is N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide is Cc1ccc(C(=O)N(CCO)C(C)C)s1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is DUEKBUQUWNUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)12(6-7-13)11(14)10-5-4-9(3)15-10/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide?
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 43573178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).