N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide

C13H21NO2S — CID 79808703

IUPACN-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cscc1C
InChIInChI=1S/C13H21NO2S/c1-4-11(5-2)14(6-7-15)13(16)12-9-17-8-10(12)3/h8-9,11,15H,4-7H2,1-3H3
InChIKeyRIJPPZJIUNLREK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.68
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide

N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide (PubChem CID 79808703) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide
PubChem CID79808703
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cscc1C
InChIInChI=1S/C13H21NO2S/c1-4-11(5-2)14(6-7-15)13(16)12-9-17-8-10(12)3/h8-9,11,15H,4-7H2,1-3H3
InChIKeyRIJPPZJIUNLREK-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 63049149
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 82772197
2-(ethylamino)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 62175910
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
5-hydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 63850846
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
CID 62175742
4-(bromomethyl)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 102851517
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 79802131
N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 54994512

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide (CID 79808703) is N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide is CCC(CC)N(CCO)C(=O)c1cscc1C.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide?
The InChIKey is RIJPPZJIUNLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-11(5-2)14(6-7-15)13(16)12-9-17-8-10(12)3/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide?
N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide has a molecular weight of 255.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 79808703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).