2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide

C22H21Cl2N3O4S — CID 59712065

IUPAC2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C22H21Cl2N3O4S/c1-5-26(2)21(29)19-12-25-22(32-19)27(14-7-9-17(30-3)18(11-14)31-4)20(28)15-8-6-13(23)10-16(15)24/h6-12H,5H2,1-4H3
InChIKeyALLHMRLHUZIWCZ-UHFFFAOYSA-N
MW494.40 g/mol
LogP5.54
Rot. Bonds7

About 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide

2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 59712065) has the molecular formula C22H21Cl2N3O4S and a molecular weight of 494.40 g/mol. Its IUPAC name is 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID59712065
Molecular FormulaC22H21Cl2N3O4S
Molecular Weight494.40 g/mol
Exact Mass493.06
IUPAC Name2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C22H21Cl2N3O4S/c1-5-26(2)21(29)19-12-25-22(32-19)27(14-7-9-17(30-3)18(11-14)31-4)20(28)15-8-6-13(23)10-16(15)24/h6-12H,5H2,1-4H3
InChIKeyALLHMRLHUZIWCZ-UHFFFAOYSA-N
XLogP5.54
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712055
2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 69287696
2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 59712077
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-bis(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 59712035
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11203992
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazole-5-carboxylic acid;piperidine-1-carboxamide
CID 69288105
2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[4-(3-hydroxypyrrolidine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 11330096
2,4-dichloro-N-(4-chloro-3-methoxyphenyl)-N-[4-[(Z)-2-ethylbut-2-enoyl]-1,3-thiazol-2-yl]benzamide
CID 143062271
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,5-dimethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 59712041
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N,N-diethyl-1,3-thiazole-4-carboxamide
CID 11363687
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-[2-(dimethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11307023
2,4-dichloro-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 41348550

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide (CID 59712065) is 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide is CCN(C)C(=O)c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(OC)c(OC)c2)s1.
What is the InChIKey of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ALLHMRLHUZIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4S/c1-5-26(2)21(29)19-12-25-22(32-19)27(14-7-9-17(30-3)18(11-14)31-4)20(28)15-8-6-13(23)10-16(15)24/h6-12H,5H2,1-4H3.
What are the key properties of 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide?
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 494.40 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59712065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).