N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide

C12H19NO3S — CID 112509111

IUPACN,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)CN(CC(C)O)C(=O)Cc1cccs1
InChIInChI=1S/C12H19NO3S/c1-9(14)7-13(8-10(2)15)12(16)6-11-4-3-5-17-11/h3-5,9-10,14-15H,6-8H2,1-2H3
InChIKeyNYQYFKXVLIHPJG-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.88
Rot. Bonds6

About N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide

N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide (PubChem CID 112509111) has the molecular formula C12H19NO3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
PubChem CID112509111
Molecular FormulaC12H19NO3S
Molecular Weight257.36 g/mol
Exact Mass257.11
IUPAC NameN,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)CN(CC(C)O)C(=O)Cc1cccs1
InChIInChI=1S/C12H19NO3S/c1-9(14)7-13(8-10(2)15)12(16)6-11-4-3-5-17-11/h3-5,9-10,14-15H,6-8H2,1-2H3
InChIKeyNYQYFKXVLIHPJG-UHFFFAOYSA-N
XLogP0.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
3-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-methylpropanoic acid
CID 119208406
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 134049303
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide (CID 112509111) is N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide is CC(O)CN(CC(C)O)C(=O)Cc1cccs1.
What is the InChIKey of N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide?
The InChIKey is NYQYFKXVLIHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(14)7-13(8-10(2)15)12(16)6-11-4-3-5-17-11/h3-5,9-10,14-15H,6-8H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide?
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide has a molecular weight of 257.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112509111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).