N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H24N2O2S — CID 46580043

IUPACN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-7-9-18(10-8-17)23(21-5-4-16-29-21)25-24(28)19-11-13-20(14-12-19)26-15-3-6-22(26)27/h4-5,7-14,16,23H,2-3,6,15H2,1H3,(H,25,28)
InChIKeyNPVSKLZBPYINJH-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.96
Rot. Bonds6

About N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46580043) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46580043
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-7-9-18(10-8-17)23(21-5-4-16-29-21)25-24(28)19-11-13-20(14-12-19)26-15-3-6-22(26)27/h4-5,7-14,16,23H,2-3,6,15H2,1H3,(H,25,28)
InChIKeyNPVSKLZBPYINJH-UHFFFAOYSA-N
XLogP4.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46580236
N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55866569
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46700054
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952828
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 46566075
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32771555
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 46580043) is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCc1ccc(C(NC(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NPVSKLZBPYINJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-17-7-9-18(10-8-17)23(21-5-4-16-29-21)25-24(28)19-11-13-20(14-12-19)26-15-3-6-22(26)27/h4-5,7-14,16,23H,2-3,6,15H2,1H3,(H,25,28).
What are the key properties of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46580043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).