N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide

C11H17NO3S — CID 60682341

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCOCCO)c(C)s1
InChIInChI=1S/C11H17NO3S/c1-8-7-10(9(2)16-8)11(14)12-3-5-15-6-4-13/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyAVLFMNMZAOIAPT-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 60682341) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID60682341
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCOCCO)c(C)s1
InChIInChI=1S/C11H17NO3S/c1-8-7-10(9(2)16-8)11(14)12-3-5-15-6-4-13/h7,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyAVLFMNMZAOIAPT-UHFFFAOYSA-N
XLogP1.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2,3,5-trimethylbenzamide
CID 156721380
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 114619039
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide (CID 60682341) is N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NCCOCCO)c(C)s1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is AVLFMNMZAOIAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-7-10(9(2)16-8)11(14)12-3-5-15-6-4-13/h7,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 60682341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).