N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide

C12H13NO2S2 — CID 110663600

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
SMILESCN(CC(O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-13(12(15)11-5-3-7-17-11)8-9(14)10-4-2-6-16-10/h2-7,9,14H,8H2,1H3
InChIKeyPMENDCMCZJWPAU-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.62
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide (PubChem CID 110663600) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
PubChem CID110663600
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
SMILESCN(CC(O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C12H13NO2S2/c1-13(12(15)11-5-3-7-17-11)8-9(14)10-4-2-6-16-10/h2-7,9,14H,8H2,1H3
InChIKeyPMENDCMCZJWPAU-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(2,2-difluoroethyl)-N-methylthiophene-2-carboxamide
CID 115611555
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide (CID 110663600) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide is CN(CC(O)c1cccs1)C(=O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is PMENDCMCZJWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-13(12(15)11-5-3-7-17-11)8-9(14)10-4-2-6-16-10/h2-7,9,14H,8H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 110663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).