4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide

C20H19N3O3S — CID 27701568

IUPAC4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-26-17-9-5-14(6-10-17)19(25)22-13-18(24)23-16-7-3-15(4-8-16)20-21-11-12-27-20/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyJMVMQPQMZAHWPS-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.58
Rot. Bonds7

About 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide (PubChem CID 27701568) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
PubChem CID27701568
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-26-17-9-5-14(6-10-17)19(25)22-13-18(24)23-16-7-3-15(4-8-16)20-21-11-12-27-20/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyJMVMQPQMZAHWPS-UHFFFAOYSA-N
XLogP3.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
2-[(2-phenoxyacetyl)amino]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 27701577
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide (CID 27701568) is 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nccs3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide?
The InChIKey is JMVMQPQMZAHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-26-17-9-5-14(6-10-17)19(25)22-13-18(24)23-16-7-3-15(4-8-16)20-21-11-12-27-20/h3-12H,2,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 27701568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).