N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide

C14H23NO3S — CID 111697721

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
SMILESCC(C)COCC(O)CNC(=O)C(C)c1ccsc1
InChIInChI=1S/C14H23NO3S/c1-10(2)7-18-8-13(16)6-15-14(17)11(3)12-4-5-19-9-12/h4-5,9-11,13,16H,6-8H2,1-3H3,(H,15,17)
InChIKeyPDIHIPPQMXJFSS-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.00
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide (PubChem CID 111697721) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
PubChem CID111697721
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
SMILESCC(C)COCC(O)CNC(=O)C(C)c1ccsc1
InChIInChI=1S/C14H23NO3S/c1-10(2)7-18-8-13(16)6-15-14(17)11(3)12-4-5-19-9-12/h4-5,9-11,13,16H,6-8H2,1-3H3,(H,15,17)
InChIKeyPDIHIPPQMXJFSS-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 97215274
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
CID 111450921
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide (CID 111697721) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide is CC(C)COCC(O)CNC(=O)C(C)c1ccsc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide?
The InChIKey is PDIHIPPQMXJFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)7-18-8-13(16)6-15-14(17)11(3)12-4-5-19-9-12/h4-5,9-11,13,16H,6-8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 111697721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).