4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

C18H23ClN2O3S — CID 55866715

IUPAC4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCc2csc(C)n2)cc1OCC
InChIInChI=1S/C18H23ClN2O3S/c1-4-6-7-24-17-15(19)8-13(9-16(17)23-5-2)18(22)20-10-14-11-25-12(3)21-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyLRMCHIQYVUZLRQ-UHFFFAOYSA-N
MW382.91 g/mol
LogP4.61
Rot. Bonds9

About 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 55866715) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID55866715
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCc2csc(C)n2)cc1OCC
InChIInChI=1S/C18H23ClN2O3S/c1-4-6-7-24-17-15(19)8-13(9-16(17)23-5-2)18(22)20-10-14-11-25-12(3)21-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,22)
InChIKeyLRMCHIQYVUZLRQ-UHFFFAOYSA-N
XLogP4.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 54.61
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

4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362510
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
methyl 6-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]hexanoate
CID 55349852
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
4-butoxy-3-chloro-5-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55744394
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
4-butoxy-3-ethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771163
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 55866715) is 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is CCCCOc1c(Cl)cc(C(=O)NCc2csc(C)n2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is LRMCHIQYVUZLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3S/c1-4-6-7-24-17-15(19)8-13(9-16(17)23-5-2)18(22)20-10-14-11-25-12(3)21-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,22).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 382.91 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55866715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).