N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

C26H27FN2O2S — CID 4694387

IUPACN-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C26H27FN2O2S/c1-2-19-5-9-21(10-6-19)26(31)29(23-13-14-23)18-25(30)28(17-24-4-3-15-32-24)16-20-7-11-22(27)12-8-20/h3-12,15,23H,2,13-14,16-18H2,1H3
InChIKeyUJJWFTRNKVHIIN-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.28
Rot. Bonds9

About N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4694387) has the molecular formula C26H27FN2O2S and a molecular weight of 450.58 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID4694387
Molecular FormulaC26H27FN2O2S
Molecular Weight450.58 g/mol
Exact Mass450.18
IUPAC NameN-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C26H27FN2O2S/c1-2-19-5-9-21(10-6-19)26(31)29(23-13-14-23)18-25(30)28(17-24-4-3-15-32-24)16-20-7-11-22(27)12-8-20/h3-12,15,23H,2,13-14,16-18H2,1H3
InChIKeyUJJWFTRNKVHIIN-UHFFFAOYSA-N
XLogP5.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5207803
N-cyclohexyl-3-fluoro-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 4525684
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 5050137
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 3389989
N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4689838
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 4283328
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methoxybenzamide
CID 5145973
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 42776366
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-ethylbenzamide
CID 5172706
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 3682572

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 4694387) is N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is CCc1ccc(C(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is UJJWFTRNKVHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2S/c1-2-19-5-9-21(10-6-19)26(31)29(23-13-14-23)18-25(30)28(17-24-4-3-15-32-24)16-20-7-11-22(27)12-8-20/h3-12,15,23H,2,13-14,16-18H2,1H3.
What are the key properties of N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 450.58 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4694387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).