3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide

C16H19NO2S — CID 105059158

IUPAC3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-3-12-9-10-20-14(12)15(19)17-16(2,11-18)13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3,(H,17,19)
InChIKeyHASFLOOMAGICKP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.95
Rot. Bonds5

About 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide

3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 105059158) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide
PubChem CID105059158
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC(C)(CO)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-3-12-9-10-20-14(12)15(19)17-16(2,11-18)13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3,(H,17,19)
InChIKeyHASFLOOMAGICKP-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethylthiophene-2-carboxamide
CID 114008198
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
2-[(2-ethylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057863

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide (CID 105059158) is 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide is CCc1ccsc1C(=O)NC(C)(CO)c1ccccc1.
What is the InChIKey of 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is HASFLOOMAGICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-12-9-10-20-14(12)15(19)17-16(2,11-18)13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide?
3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 105059158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).