N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide

C12H17NO2S — CID 63298785

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)C2CC2)s1
InChIInChI=1S/C12H17NO2S/c1-2-9-5-6-11(16-9)12(15)13-7-10(14)8-3-4-8/h5-6,8,10,14H,2-4,7H2,1H3,(H,13,15)
InChIKeyGHUREJYXPKGRKU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.81
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide (PubChem CID 63298785) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
PubChem CID63298785
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)C2CC2)s1
InChIInChI=1S/C12H17NO2S/c1-2-9-5-6-11(16-9)12(15)13-7-10(14)8-3-4-8/h5-6,8,10,14H,2-4,7H2,1H3,(H,13,15)
InChIKeyGHUREJYXPKGRKU-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(2-chloro-4-methylpentyl)-5-ethylthiophene-2-carboxamide
CID 107157520
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
5-ethyl-N-[(3-methyloxetan-3-yl)methyl]thiophene-2-carboxamide
CID 78957474

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide (CID 63298785) is N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NCC(O)C2CC2)s1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is GHUREJYXPKGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-9-5-6-11(16-9)12(15)13-7-10(14)8-3-4-8/h5-6,8,10,14H,2-4,7H2,1H3,(H,13,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 63298785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).