N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

C24H23BrN2O3S — CID 5077565

IUPACN-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(C2SCCN2C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C24H23BrN2O3S/c1-29-22-15-18(11-12-21(22)30-16-17-7-3-2-4-8-17)23-27(13-14-31-23)24(28)26-20-10-6-5-9-19(20)25/h2-12,15,23H,13-14,16H2,1H3,(H,26,28)
InChIKeyBSIYZJYZZFROKF-UHFFFAOYSA-N
MW499.43 g/mol
LogP6.32
Rot. Bonds6

About N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5077565) has the molecular formula C24H23BrN2O3S and a molecular weight of 499.43 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5077565
Molecular FormulaC24H23BrN2O3S
Molecular Weight499.43 g/mol
Exact Mass498.06
IUPAC NameN-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1cc(C2SCCN2C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1
InChIInChI=1S/C24H23BrN2O3S/c1-29-22-15-18(11-12-21(22)30-16-17-7-3-2-4-8-17)23-27(13-14-31-23)24(28)26-20-10-6-5-9-19(20)25/h2-12,15,23H,13-14,16H2,1H3,(H,26,28)
InChIKeyBSIYZJYZZFROKF-UHFFFAOYSA-N
XLogP6.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.43
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4536844
N-(3-chloro-4-methylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4080269
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 5077565) is N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1cc(C2SCCN2C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BSIYZJYZZFROKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3S/c1-29-22-15-18(11-12-21(22)30-16-17-7-3-2-4-8-17)23-27(13-14-31-23)24(28)26-20-10-6-5-9-19(20)25/h2-12,15,23H,13-14,16H2,1H3,(H,26,28).
What are the key properties of N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 499.43 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5077565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).