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

C25H26N4O3S — CID 55434408

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1
InChIInChI=1S/C25H26N4O3S/c1-16(26-17(2)30)19-8-10-20(11-9-19)22-15-33-25(27-22)28-24(32)21-6-3-5-18(13-21)14-29-12-4-7-23(29)31/h3,5-6,8-11,13,15-16H,4,7,12,14H2,1-2H3,(H,26,30)(H,27,28,32)
InChIKeyJBWYOZXQLPNANR-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.38
Rot. Bonds7

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

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55434408) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55434408
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1
InChIInChI=1S/C25H26N4O3S/c1-16(26-17(2)30)19-8-10-20(11-9-19)22-15-33-25(27-22)28-24(32)21-6-3-5-18(13-21)14-29-12-4-7-23(29)31/h3,5-6,8-11,13,15-16H,4,7,12,14H2,1-2H3,(H,26,30)(H,27,28,32)
InChIKeyJBWYOZXQLPNANR-UHFFFAOYSA-N
XLogP4.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 26694871
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434173
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55407060
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55434408) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is JBWYOZXQLPNANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-16(26-17(2)30)19-8-10-20(11-9-19)22-15-33-25(27-22)28-24(32)21-6-3-5-18(13-21)14-29-12-4-7-23(29)31/h3,5-6,8-11,13,15-16H,4,7,12,14H2,1-2H3,(H,26,30)(H,27,28,32).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 462.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55434408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).