N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C23H17ClN2O2S2 — CID 108748350

IUPACN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C23H17ClN2O2S2/c24-18-8-2-1-7-17(18)23-26-19(14-30-23)15-5-3-6-16(13-15)25-22(28)11-10-20(27)21-9-4-12-29-21/h1-9,12-14H,10-11H2,(H,25,28)
InChIKeyBGVJQCZNNIDINZ-UHFFFAOYSA-N
MW452.99 g/mol
LogP6.79
Rot. Bonds7

About N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108748350) has the molecular formula C23H17ClN2O2S2 and a molecular weight of 452.99 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108748350
Molecular FormulaC23H17ClN2O2S2
Molecular Weight452.99 g/mol
Exact Mass452.04
IUPAC NameN-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C23H17ClN2O2S2/c24-18-8-2-1-7-17(18)23-26-19(14-30-23)15-5-3-6-16(13-15)25-22(28)11-10-20(27)21-9-4-12-29-21/h1-9,12-14H,10-11H2,(H,25,28)
InChIKeyBGVJQCZNNIDINZ-UHFFFAOYSA-N
XLogP6.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.99
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108770278
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2-methylpropyl N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamate
CID 108748316
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-cyanobenzamide
CID 108748379
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108779722
[3-[[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]carbamoyl]phenyl] acetate
CID 108770246

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108748350) is N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is BGVJQCZNNIDINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S2/c24-18-8-2-1-7-17(18)23-26-19(14-30-23)15-5-3-6-16(13-15)25-22(28)11-10-20(27)21-9-4-12-29-21/h1-9,12-14H,10-11H2,(H,25,28).
What are the key properties of N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 452.99 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108748350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).