N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide

C17H18FNO4S — CID 143154177

IUPACN-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide
SMILESO=CC(O)C(O)C(=O)NCCc1cc(Cc2ccccc2F)cs1
InChIInChI=1S/C17H18FNO4S/c18-14-4-2-1-3-12(14)7-11-8-13(24-10-11)5-6-19-17(23)16(22)15(21)9-20/h1-4,8-10,15-16,21-22H,5-7H2,(H,19,23)
InChIKeyLRZSZZMQDXEHSU-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.06
Rot. Bonds8

About N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide

N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 143154177) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID143154177
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide
SMILESO=CC(O)C(O)C(=O)NCCc1cc(Cc2ccccc2F)cs1
InChIInChI=1S/C17H18FNO4S/c18-14-4-2-1-3-12(14)7-11-8-13(24-10-11)5-6-19-17(23)16(22)15(21)9-20/h1-4,8-10,15-16,21-22H,5-7H2,(H,19,23)
InChIKeyLRZSZZMQDXEHSU-UHFFFAOYSA-N
XLogP1.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-N'-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxybutanediamide
CID 70330618
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-N'-propylbutanediamide
CID 143155116
(2R,3R)-N-[2-[4-[(2,4-difluorophenyl)methyl]thiophen-2-yl]ethyl]-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 58751842
2-[4-[(2,5-difluorophenyl)methyl]thiophen-2-yl]-N-methylethanamine
CID 143154960
(2R,3R)-N-[2-(4-benzylthiophen-2-yl)ethyl]-2,3-dihydroxy-4-[2-(4-methylphenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 11705898
2-[(2-fluorophenyl)methyl]-N-(3-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 111433392
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide (CID 143154177) is N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide is O=CC(O)C(O)C(=O)NCCc1cc(Cc2ccccc2F)cs1.
What is the InChIKey of N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is LRZSZZMQDXEHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c18-14-4-2-1-3-12(14)7-11-8-13(24-10-11)5-6-19-17(23)16(22)15(21)9-20/h1-4,8-10,15-16,21-22H,5-7H2,(H,19,23).
What are the key properties of N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide?
N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 351.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenyl)methyl]thiophen-2-yl]ethyl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 143154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).