N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide

C18H20FN3O3S — CID 18589172

IUPACN'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H20FN3O3S/c19-13-4-1-2-5-14(13)21-18(24)17(23)20-12-15(16-6-3-11-26-16)22-7-9-25-10-8-22/h1-6,11,15H,7-10,12H2,(H,20,23)(H,21,24)
InChIKeyACLWRGWPSFDJCG-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.02
Rot. Bonds5

About N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide

N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide (PubChem CID 18589172) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
PubChem CID18589172
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H20FN3O3S/c19-13-4-1-2-5-14(13)21-18(24)17(23)20-12-15(16-6-3-11-26-16)22-7-9-25-10-8-22/h1-6,11,15H,7-10,12H2,(H,20,23)(H,21,24)
InChIKeyACLWRGWPSFDJCG-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835113
N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835121
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087
2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 39951277
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
4-(2-fluorophenyl)-N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111148159
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 55650784
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide (CID 18589172) is N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide is O=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The InChIKey is ACLWRGWPSFDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-13-4-1-2-5-14(13)21-18(24)17(23)20-12-15(16-6-3-11-26-16)22-7-9-25-10-8-22/h1-6,11,15H,7-10,12H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide has a molecular weight of 377.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 18589172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).