N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide

C20H18N2O2S — CID 8534002

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H18N2O2S/c1-14-21-18(13-25-14)15-7-9-17(10-8-15)22-20(24)12-11-19(23)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyHAMXENYZUDRQIO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.72
Rot. Bonds6

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 8534002) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
PubChem CID8534002
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H18N2O2S/c1-14-21-18(13-25-14)15-7-9-17(10-8-15)22-20(24)12-11-19(23)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyHAMXENYZUDRQIO-UHFFFAOYSA-N
XLogP4.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide 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-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8541420
4-oxo-N,4-diphenylbutanamide
CID 825307

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide (CID 8534002) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide is Cc1nc(-c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is HAMXENYZUDRQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-21-18(13-25-14)15-7-9-17(10-8-15)22-20(24)12-11-19(23)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 350.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 8534002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).