N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide

C18H11BrCl2N2O2S2 — CID 11134901

IUPACN-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1cccc(Br)c1)c1sc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C18H11BrCl2N2O2S2/c19-10-3-1-2-9(6-10)18-23(14(24)8-26-18)22-17(25)16-15(21)12-7-11(20)4-5-13(12)27-16/h1-7,18H,8H2,(H,22,25)
InChIKeyGAYHZGJLZOXIRB-UHFFFAOYSA-N
MW502.24 g/mol
LogP5.89
Rot. Bonds3

About N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide

N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide (PubChem CID 11134901) has the molecular formula C18H11BrCl2N2O2S2 and a molecular weight of 502.24 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide
PubChem CID11134901
Molecular FormulaC18H11BrCl2N2O2S2
Molecular Weight502.24 g/mol
Exact Mass499.88
IUPAC NameN-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1cccc(Br)c1)c1sc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C18H11BrCl2N2O2S2/c19-10-3-1-2-9(6-10)18-23(14(24)8-26-18)22-17(25)16-15(21)12-7-11(20)4-5-13(12)27-16/h1-7,18H,8H2,(H,22,25)
InChIKeyGAYHZGJLZOXIRB-UHFFFAOYSA-N
XLogP5.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.24
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(2-chloro-6-methoxyquinolin-3-yl)-4-oxo-1,3-thiazolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 10929578
3,5-dichloro-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1-benzothiophene-2-carboxamide
CID 11059772
2-(4-chlorophenyl)-N-[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 25023321
1,3-bis[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]thiourea
CID 14145607
2-(6-chloro-3-methylindazol-1-yl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11582799
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
2-(3-bromophenyl)-3-(3-chloro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 3288399
4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
CID 682122
5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide
CID 162537281
2-(3-bromophenyl)-3-cyclohexyl-1,3-thiazolidin-4-one
CID 16654588
3-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3288401
3,5-dichloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 11037566

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide (CID 11134901) is N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide is O=C(NN1C(=O)CSC1c1cccc(Br)c1)c1sc2ccc(Cl)cc2c1Cl.
What is the InChIKey of N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide?
The InChIKey is GAYHZGJLZOXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N2O2S2/c19-10-3-1-2-9(6-10)18-23(14(24)8-26-18)22-17(25)16-15(21)12-7-11(20)4-5-13(12)27-16/h1-7,18H,8H2,(H,22,25).
What are the key properties of N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide?
N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide has a molecular weight of 502.24 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3,5-dichloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11134901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).