N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H23N3O2S — CID 26694871

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-16-8-10-18(11-9-16)20-15-29-23(24-20)25-22(28)19-6-3-5-17(13-19)14-26-12-4-7-21(26)27/h3,5-6,8-11,13,15H,2,4,7,12,14H2,1H3,(H,24,25,28)
InChIKeyNTCUKCXKLHLFMF-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 26694871) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID26694871
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-16-8-10-18(11-9-16)20-15-29-23(24-20)25-22(28)19-6-3-5-17(13-19)14-26-12-4-7-21(26)27/h3,5-6,8-11,13,15H,2,4,7,12,14H2,1H3,(H,24,25,28)
InChIKeyNTCUKCXKLHLFMF-UHFFFAOYSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55434408
3-(benzenesulfonamido)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 121041534
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55381218
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146668
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24621148

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 26694871) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CCc1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is NTCUKCXKLHLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-16-8-10-18(11-9-16)20-15-29-23(24-20)25-22(28)19-6-3-5-17(13-19)14-26-12-4-7-21(26)27/h3,5-6,8-11,13,15H,2,4,7,12,14H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 26694871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).