N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide

C12H19NO2S — CID 115772041

IUPACN-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(C)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-13(6-5-7-14)12(15)11-8-9(2)16-10(11)3/h8,14H,4-7H2,1-3H3
InChIKeyCYMDQZWNSRURQA-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide

N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 115772041) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID115772041
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(C)sc1C
InChIInChI=1S/C12H19NO2S/c1-4-13(6-5-7-14)12(15)11-8-9(2)16-10(11)3/h8,14H,4-7H2,1-3H3
InChIKeyCYMDQZWNSRURQA-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
2-amino-N,N-diethyl-5-methylthiophene-3-carboxamide
CID 43367307
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115771425
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide (CID 115772041) is N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide is CCN(CCCO)C(=O)c1cc(C)sc1C.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is CYMDQZWNSRURQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-13(6-5-7-14)12(15)11-8-9(2)16-10(11)3/h8,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 115772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).