N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C17H18FNO3S — CID 110888816

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FNO3S/c1-11-2-8-16(23-11)14(20)7-9-17(22)19-10-15(21)12-3-5-13(18)6-4-12/h2-6,8,15,21H,7,9-10H2,1H3,(H,19,22)
InChIKeyDOPXFFUUABLNII-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 110888816) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID110888816
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C17H18FNO3S/c1-11-2-8-16(23-11)14(20)7-9-17(22)19-10-15(21)12-3-5-13(18)6-4-12/h2-6,8,15,21H,7,9-10H2,1H3,(H,19,22)
InChIKeyDOPXFFUUABLNII-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)acetamide
CID 110921883
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24640133
N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134056623
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888819
3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55949740
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 38524814
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 110888816) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCC(O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is DOPXFFUUABLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-11-2-8-16(23-11)14(20)7-9-17(22)19-10-15(21)12-3-5-13(18)6-4-12/h2-6,8,15,21H,7,9-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 335.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 110888816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).