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

C17H21ClN2O3S — CID 26362510

IUPAC4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OCC
InChIInChI=1S/C17H21ClN2O3S/c1-4-6-7-23-15-13(18)8-12(9-14(15)22-5-2)16(21)20-17-19-11(3)10-24-17/h8-10H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyGPVXPHYODGAQQW-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.93
Rot. Bonds8

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

4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 26362510) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID26362510
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OCC
InChIInChI=1S/C17H21ClN2O3S/c1-4-6-7-23-15-13(18)8-12(9-14(15)22-5-2)16(21)20-17-19-11(3)10-24-17/h8-10H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyGPVXPHYODGAQQW-UHFFFAOYSA-N
XLogP4.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.93
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-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55866715
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
ethyl 2-[[5-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 39122910
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 55726082
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 26362510) is 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2nc(C)cs2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GPVXPHYODGAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-4-6-7-23-15-13(18)8-12(9-14(15)22-5-2)16(21)20-17-19-11(3)10-24-17/h8-10H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 368.89 g/mol, XLogP of 4.93, 8 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-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26362510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).