2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide

C22H23N3O3S — CID 35361449

IUPAC2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C22H23N3O3S/c1-3-23-21(27)18-7-5-6-8-19(18)25-20(26)13-16-14-29-22(24-16)15-9-11-17(12-10-15)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyPCBCZDPKFVQIKV-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.14
Rot. Bonds8

About 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide

2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide (PubChem CID 35361449) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
PubChem CID35361449
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C22H23N3O3S/c1-3-23-21(27)18-7-5-6-8-19(18)25-20(26)13-16-14-29-22(24-16)15-9-11-17(12-10-15)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyPCBCZDPKFVQIKV-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
N-(3-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585675
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
N-(2,5-dibromophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 39166248
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
N-(2-tert-butylphenyl)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505799
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide (CID 35361449) is 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccc(OCC)cc2)n1.
What is the InChIKey of 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide?
The InChIKey is PCBCZDPKFVQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-23-21(27)18-7-5-6-8-19(18)25-20(26)13-16-14-29-22(24-16)15-9-11-17(12-10-15)28-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide?
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 35361449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).