N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide

C18H15FN2O3S2 — CID 97106557

IUPACN'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15FN2O3S2/c19-12-4-1-2-5-13(12)21-18(24)17(23)20-10-11-7-8-15(26-11)16(22)14-6-3-9-25-14/h1-9,16,22H,10H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyPOYUXDVGEYTXPD-INIZCTEOSA-N
MW390.46 g/mol
LogP3.29
Rot. Bonds5

About N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide

N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide (PubChem CID 97106557) has the molecular formula C18H15FN2O3S2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
PubChem CID97106557
Molecular FormulaC18H15FN2O3S2
Molecular Weight390.46 g/mol
Exact Mass390.05
IUPAC NameN'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15FN2O3S2/c19-12-4-1-2-5-13(12)21-18(24)17(23)20-10-11-7-8-15(26-11)16(22)14-6-3-9-25-14/h1-9,16,22H,10H2,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyPOYUXDVGEYTXPD-INIZCTEOSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804688
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 97106555
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90583751
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 71804691
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47457450
N-(1,3-benzodioxol-5-ylmethyl)-N'-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 97106574
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 90583549

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide (CID 97106557) is N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide is O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide?
The InChIKey is POYUXDVGEYTXPD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15FN2O3S2/c19-12-4-1-2-5-13(12)21-18(24)17(23)20-10-11-7-8-15(26-11)16(22)14-6-3-9-25-14/h1-9,16,22H,10H2,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide?
N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide has a molecular weight of 390.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 97106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).