N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide

C18H23FN2O3S — CID 70538171

IUPACN-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1ccc(OCC(O)CNC(C)C)c(F)c1
InChIInChI=1S/C18H23FN2O3S/c1-12(2)20-9-16(23)10-24-18-5-4-14(8-17(18)19)21(13(3)22)15-6-7-25-11-15/h4-8,11-12,16,20,23H,9-10H2,1-3H3
InChIKeyPGPBQZFUQNJBIB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.31
Rot. Bonds8

About N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide

N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide (PubChem CID 70538171) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide
PubChem CID70538171
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC NameN-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide
SMILESCC(=O)N(c1ccsc1)c1ccc(OCC(O)CNC(C)C)c(F)c1
InChIInChI=1S/C18H23FN2O3S/c1-12(2)20-9-16(23)10-24-18-5-4-14(8-17(18)19)21(13(3)22)15-6-7-25-11-15/h4-8,11-12,16,20,23H,9-10H2,1-3H3
InChIKeyPGPBQZFUQNJBIB-UHFFFAOYSA-N
XLogP3.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-bromo-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-thiophen-3-ylacetamide
CID 70450416
1-[5-fluoro-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 20561425
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodophenyl]-3-methylurea
CID 129396067
1-(2-tert-butyl-4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 22419817
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910141
1-[5-amino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 165343405
1-[5-amino-2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propan-1-one
CID 125483290
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
1-(4-amino-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154192524
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide?
The IUPAC name of N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide (CID 70538171) is N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide is CC(=O)N(c1ccsc1)c1ccc(OCC(O)CNC(C)C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide?
The InChIKey is PGPBQZFUQNJBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-12(2)20-9-16(23)10-24-18-5-4-14(8-17(18)19)21(13(3)22)15-6-7-25-11-15/h4-8,11-12,16,20,23H,9-10H2,1-3H3.
What are the key properties of N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide?
N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide has a molecular weight of 366.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-thiophen-3-ylacetamide is sourced from PubChem (CID 70538171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).