N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide

C21H21FN2O2S — CID 167298399

IUPACN-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NCc1cccs1
InChIInChI=1S/C21H21FN2O2S/c1-14-4-7-16(22)12-19(14)24-21(26)20(23-13-18-3-2-10-27-18)11-15-5-8-17(25)9-6-15/h2-10,12,20,23,25H,11,13H2,1H3,(H,24,26)
InChIKeyYEEBPOYQXJLAIB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.24
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide

N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide (PubChem CID 167298399) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide
PubChem CID167298399
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide
SMILESCc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NCc1cccs1
InChIInChI=1S/C21H21FN2O2S/c1-14-4-7-16(22)12-19(14)24-21(26)20(23-13-18-3-2-10-27-18)11-15-5-8-17(25)9-6-15/h2-10,12,20,23,25H,11,13H2,1H3,(H,24,26)
InChIKeyYEEBPOYQXJLAIB-UHFFFAOYSA-N
XLogP4.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide (CID 167298399) is N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide is Cc1ccc(F)cc1NC(=O)C(Cc1ccc(O)cc1)NCc1cccs1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is YEEBPOYQXJLAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-4-7-16(22)12-19(14)24-21(26)20(23-13-18-3-2-10-27-18)11-15-5-8-17(25)9-6-15/h2-10,12,20,23,25H,11,13H2,1H3,(H,24,26).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide?
N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-(4-hydroxyphenyl)-2-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 167298399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).