N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide

C25H28N4O4S — CID 26202160

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1
InChIInChI=1S/C25H28N4O4S/c1-33-20-10-4-17(5-11-20)12-13-26-23(31)18-6-8-19(9-7-18)27-22(30)16-21-24(32)28-25(34-21)29-14-2-3-15-29/h4-11,21H,2-3,12-16H2,1H3,(H,26,31)(H,27,30)/t21-/m1/s1
InChIKeyVUUZVMOGTCRIKK-OAQYLSRUSA-N
MW480.59 g/mol
LogP3.09
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide

N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide (PubChem CID 26202160) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
PubChem CID26202160
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1
InChIInChI=1S/C25H28N4O4S/c1-33-20-10-4-17(5-11-20)12-13-26-23(31)18-6-8-19(9-7-18)27-22(30)16-21-24(32)28-25(34-21)29-14-2-3-15-29/h4-11,21H,2-3,12-16H2,1H3,(H,26,31)(H,27,30)/t21-/m1/s1
InChIKeyVUUZVMOGTCRIKK-OAQYLSRUSA-N
XLogP3.09
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41208455
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-(3-methoxyphenyl)-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202131
N-[(4-methoxyphenyl)methyl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40855465
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[4-[(2S)-2-methylpiperidin-1-yl]butyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 51950072
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
N-[(3-fluorophenyl)methyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46590082
2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-N-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]acetamide
CID 46650936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide (CID 26202160) is N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is COc1ccc(CCNC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The InChIKey is VUUZVMOGTCRIKK-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-33-20-10-4-17(5-11-20)12-13-26-23(31)18-6-8-19(9-7-18)27-22(30)16-21-24(32)28-25(34-21)29-14-2-3-15-29/h4-11,21H,2-3,12-16H2,1H3,(H,26,31)(H,27,30)/t21-/m1/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide has a molecular weight of 480.59 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is sourced from PubChem (CID 26202160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).