N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide

C18H18FN3O4S — CID 71894849

IUPACN'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1
InChIInChI=1S/C18H18FN3O4S/c19-14-4-3-12(8-15(14)22-16(23)11-5-7-27-10-11)21-18(25)17(24)20-9-13-2-1-6-26-13/h3-5,7-8,10,13H,1-2,6,9H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyMQTBRUOPLVJZBU-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.37
Rot. Bonds5

About N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 71894849) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID71894849
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCC1CCCO1)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1
InChIInChI=1S/C18H18FN3O4S/c19-14-4-3-12(8-15(14)22-16(23)11-5-7-27-10-11)21-18(25)17(24)20-9-13-2-1-6-26-13/h3-5,7-8,10,13H,1-2,6,9H2,(H,20,24)(H,21,25)(H,22,23)
InChIKeyMQTBRUOPLVJZBU-UHFFFAOYSA-N
XLogP2.37
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.37
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

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-[[(2S)-oxolan-2-yl]methyl]-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 99872802
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N-(oxolan-2-ylmethyl)-1-[3-(thiophene-3-carbonylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842591
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 108507658

Frequently Asked Questions

What is the IUPAC name of N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide (CID 71894849) is N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCC1CCCO1)C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1.
What is the InChIKey of N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is MQTBRUOPLVJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-14-4-3-12(8-15(14)22-16(23)11-5-7-27-10-11)21-18(25)17(24)20-9-13-2-1-6-26-13/h3-5,7-8,10,13H,1-2,6,9H2,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 391.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-fluoro-3-(thiophene-3-carbonylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 71894849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).