N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide

C17H17FN2O2S — CID 42335583

IUPACN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN2O2S/c18-13-5-3-12(4-6-13)17(7-8-17)11-20-16(22)15(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyNVRBTJBWELPZSE-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.35
Rot. Bonds5

About N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 42335583) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID42335583
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H17FN2O2S/c18-13-5-3-12(4-6-13)17(7-8-17)11-20-16(22)15(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyNVRBTJBWELPZSE-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257527
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111350092
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909
1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 86263808
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
2-[[[[1-(3-fluorophenyl)cyclopropyl]methylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111639173
N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
ethyl 2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoacetate
CID 110481833

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide (CID 42335583) is N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is NVRBTJBWELPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-13-5-3-12(4-6-13)17(7-8-17)11-20-16(22)15(21)19-10-14-2-1-9-23-14/h1-6,9H,7-8,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 332.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 42335583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).