N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide

C24H28FN3O4S — CID 3219985

IUPACN-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide
SMILESO=C(NC1CCCC1)C(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1cccs1
InChIInChI=1S/C24H28FN3O4S/c25-18-10-3-4-11-19(18)28(24(31)23(30)27-16-7-1-2-8-16)21(20-12-6-14-33-20)22(29)26-15-17-9-5-13-32-17/h3-4,6,10-12,14,16-17,21H,1-2,5,7-9,13,15H2,(H,26,29)(H,27,30)
InChIKeyNDUAHJZGTCDMGG-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.32
Rot. Bonds7

About N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide

N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide (PubChem CID 3219985) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide
PubChem CID3219985
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC NameN-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide
SMILESO=C(NC1CCCC1)C(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1cccs1
InChIInChI=1S/C24H28FN3O4S/c25-18-10-3-4-11-19(18)28(24(31)23(30)27-16-7-1-2-8-16)21(20-12-6-14-33-20)22(29)26-15-17-9-5-13-32-17/h3-4,6,10-12,14,16-17,21H,1-2,5,7-9,13,15H2,(H,26,29)(H,27,30)
InChIKeyNDUAHJZGTCDMGG-UHFFFAOYSA-N
XLogP3.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.32
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

Thiophene-2-carboxylic acid [((2-fluoro-phenyl)-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215876
N-Cyclopentyl-2-({2-[(4-fluoro-phenylcarbamoyl)-methanesulfinyl]-acetyl}-phenyl-amino)-2-thiophen-2-yl-acetamide
CID 3178119
N-[(Cyclopentylcarbamoyl)methyl]-N-(3-fluorophenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211159
N-[(Cyclopentylcarbamoyl)methyl]-N-(4-fluorophenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211169
N-Cyclopentyl-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202485
N-Cyclopentyl-2-[(3-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202486
N-(Oxolan-2-ylmethyl)-2-phenyl-2-[N-phenyl-2-(thiophen-2-ylformamido)acetamido]acetamide
CID 3215860
N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide
CID 3219981
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799145
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16278018
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(thiophen-2-YL)acetamide
CID 3202507
N-[(Cyclopentylcarbamoyl)methyl]-N-(2-fluorophenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211158

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide (CID 3219985) is N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide is O=C(NC1CCCC1)C(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1cccs1.
What is the InChIKey of N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide?
The InChIKey is NDUAHJZGTCDMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c25-18-10-3-4-11-19(18)28(24(31)23(30)27-16-7-1-2-8-16)21(20-12-6-14-33-20)22(29)26-15-17-9-5-13-32-17/h3-4,6,10-12,14,16-17,21H,1-2,5,7-9,13,15H2,(H,26,29)(H,27,30).
What are the key properties of N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide?
N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide has a molecular weight of 473.57 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(2-fluorophenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 3219985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).