2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

C25H25Cl2N3O5S — CID 69287696

IUPAC2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOC1CCN(C(=O)c2cnc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(OC)c(OC)c3)s2)C1
InChIInChI=1S/C25H25Cl2N3O5S/c1-4-35-17-9-10-29(14-17)24(32)22-13-28-25(36-22)30(16-6-8-20(33-2)21(12-16)34-3)23(31)18-7-5-15(26)11-19(18)27/h5-8,11-13,17H,4,9-10,14H2,1-3H3
InChIKeyUOSFVRJUJRFJRP-UHFFFAOYSA-N
MW550.46 g/mol
LogP5.70
Rot. Bonds8

About 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 69287696) has the molecular formula C25H25Cl2N3O5S and a molecular weight of 550.46 g/mol. Its IUPAC name is 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID69287696
Molecular FormulaC25H25Cl2N3O5S
Molecular Weight550.46 g/mol
Exact Mass549.09
IUPAC Name2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOC1CCN(C(=O)c2cnc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(OC)c(OC)c3)s2)C1
InChIInChI=1S/C25H25Cl2N3O5S/c1-4-35-17-9-10-29(14-17)24(32)22-13-28-25(36-22)30(16-6-8-20(33-2)21(12-16)34-3)23(31)18-7-5-15(26)11-19(18)27/h5-8,11-13,17H,4,9-10,14H2,1-3H3
InChIKeyUOSFVRJUJRFJRP-UHFFFAOYSA-N
XLogP5.70
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 59712065
2,4-dichloro-N-(4-chlorophenyl)-N-[4-[(3R)-3-ethoxypyrrolidine-1-carbonyl]-5-methyl-1,3-thiazol-2-yl]benzamide
CID 59712028
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-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazole-5-carboxylic acid;piperidine-1-carboxamide
CID 69288105
2-(N-(2,4-dichlorobenzoyl)-3,4-dimethoxyanilino)-N-[2-(diethylamino)ethyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 11203992
(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 86843751
2-(4-chloro-N-(2,4-dichlorobenzoyl)-3-methoxyanilino)-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 59712077
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
CID 136586890
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
CID 166338888
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 11419624
[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate
CID 69287747

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 69287696) is 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is CCOC1CCN(C(=O)c2cnc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(OC)c(OC)c3)s2)C1.
What is the InChIKey of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UOSFVRJUJRFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O5S/c1-4-35-17-9-10-29(14-17)24(32)22-13-28-25(36-22)30(16-6-8-20(33-2)21(12-16)34-3)23(31)18-7-5-15(26)11-19(18)27/h5-8,11-13,17H,4,9-10,14H2,1-3H3.
What are the key properties of 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 550.46 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3,4-dimethoxyphenyl)-N-[5-(3-ethoxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 69287696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).