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

C24H21ClN2O2S2 — CID 175369780

IUPAC3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccs1)c1cccc(-c2csc(=O)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O2S2/c25-19-9-11-20(12-10-19)27-22(16-31-24(27)29)17-5-3-6-18(15-17)23(28)26-13-2-1-7-21-8-4-14-30-21/h3-6,8-12,14-16H,1-2,7,13H2,(H,26,28)
InChIKeyJLQVMAIQYFSBRA-UHFFFAOYSA-N
MW469.03 g/mol
LogP6.03
Rot. Bonds8

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

3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide (PubChem CID 175369780) has the molecular formula C24H21ClN2O2S2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide
PubChem CID175369780
Molecular FormulaC24H21ClN2O2S2
Molecular Weight469.03 g/mol
Exact Mass468.07
IUPAC Name3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccs1)c1cccc(-c2csc(=O)n2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21ClN2O2S2/c25-19-9-11-20(12-10-19)27-22(16-31-24(27)29)17-5-3-6-18(15-17)23(28)26-13-2-1-7-21-8-4-14-30-21/h3-6,8-12,14-16H,1-2,7,13H2,(H,26,28)
InChIKeyJLQVMAIQYFSBRA-UHFFFAOYSA-N
XLogP6.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.03
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide
CID 175218271
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
3-[3-(2-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-pyrazol-1-ylbutyl)benzamide
CID 175722436
3-[3-(4-fluoro-2-methoxyphenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-pyrazol-1-ylbutyl)benzamide
CID 175722412
3-[3-(5-fluoro-2-methoxyphenyl)-2-oxo-1,3-thiazol-4-yl]-N-[(E)-4-thiophen-2-ylbut-3-enyl]benzamide
CID 175369785
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
N-[(E)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-ylpentanamide
CID 19584989
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide (CID 175369780) is 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide is O=C(NCCCCc1cccs1)c1cccc(-c2csc(=O)n2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide?
The InChIKey is JLQVMAIQYFSBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S2/c25-19-9-11-20(12-10-19)27-22(16-31-24(27)29)17-5-3-6-18(15-17)23(28)26-13-2-1-7-21-8-4-14-30-21/h3-6,8-12,14-16H,1-2,7,13H2,(H,26,28).
What are the key properties of 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide?
3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide has a molecular weight of 469.03 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-2-oxo-1,3-thiazol-4-yl]-N-(4-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 175369780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).