N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C24H24N2O2S — CID 46580236

IUPACN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(N3CCCC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-10-12-18(13-11-17)23(21-8-5-15-29-21)25-24(28)19-6-3-7-20(16-19)26-14-4-9-22(26)27/h3,5-8,10-13,15-16,23H,2,4,9,14H2,1H3,(H,25,28)
InChIKeyFATCVIFQAGEDNS-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.96
Rot. Bonds6

About N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46580236) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46580236
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCc1ccc(C(NC(=O)c2cccc(N3CCCC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O2S/c1-2-17-10-12-18(13-11-17)23(21-8-5-15-29-21)25-24(28)19-6-3-7-20(16-19)26-14-4-9-22(26)27/h3,5-8,10-13,15-16,23H,2,4,9,14H2,1H3,(H,25,28)
InChIKeyFATCVIFQAGEDNS-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]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 24613805
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46700054
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51260024
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 46580236) is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCc1ccc(C(NC(=O)c2cccc(N3CCCC3=O)c2)c2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FATCVIFQAGEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-2-17-10-12-18(13-11-17)23(21-8-5-15-29-21)25-24(28)19-6-3-7-20(16-19)26-14-4-9-22(26)27/h3,5-8,10-13,15-16,23H,2,4,9,14H2,1H3,(H,25,28).
What are the key properties of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(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]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46580236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).