N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide

C12H19NO3S — CID 75378561

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-9(10-4-5-17-8-10)12(15)13(2)6-11(14)7-16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyKMCOITKWOBNOOX-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.32
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide (PubChem CID 75378561) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide
PubChem CID75378561
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)c1ccsc1
InChIInChI=1S/C12H19NO3S/c1-9(10-4-5-17-8-10)12(15)13(2)6-11(14)7-16-3/h4-5,8-9,11,14H,6-7H2,1-3H3
InChIKeyKMCOITKWOBNOOX-UHFFFAOYSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide (CID 75378561) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide is COCC(O)CN(C)C(=O)C(C)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide?
The InChIKey is KMCOITKWOBNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(10-4-5-17-8-10)12(15)13(2)6-11(14)7-16-3/h4-5,8-9,11,14H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide has a molecular weight of 257.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 75378561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).