N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide

C14H17NO2S2 — CID 111441647

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H17NO2S2/c1-9(2)11-4-6-19-13(11)14(17)15-7-12(16)10-3-5-18-8-10/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17)
InChIKeyVMIYTCOFJIVQRV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.40
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 111441647) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
PubChem CID111441647
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C14H17NO2S2/c1-9(2)11-4-6-19-13(11)14(17)15-7-12(16)10-3-5-18-8-10/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17)
InChIKeyVMIYTCOFJIVQRV-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
N-(2-aminoethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 119382828
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide (CID 111441647) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is VMIYTCOFJIVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-9(2)11-4-6-19-13(11)14(17)15-7-12(16)10-3-5-18-8-10/h3-6,8-9,12,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 111441647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).