N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide

C11H17NO3S — CID 60655347

IUPACN-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)c(C)s1)OC
InChIInChI=1S/C11H17NO3S/c1-7-5-9(16-8(7)2)11(13)12-6-10(14-3)15-4/h5,10H,6H2,1-4H3,(H,12,13)
InChIKeyLEVZFNFEIBPLAM-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.71
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide

N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 60655347) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID60655347
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc(C)c(C)s1)OC
InChIInChI=1S/C11H17NO3S/c1-7-5-9(16-8(7)2)11(13)12-6-10(14-3)15-4/h5,10H,6H2,1-4H3,(H,12,13)
InChIKeyLEVZFNFEIBPLAM-UHFFFAOYSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78909936
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
CID 115301198
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide (CID 60655347) is N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide is COC(CNC(=O)c1cc(C)c(C)s1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is LEVZFNFEIBPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-5-9(16-8(7)2)11(13)12-6-10(14-3)15-4/h5,10H,6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 60655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).