2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C21H23N3O3S — CID 66539460

IUPAC2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2nccs2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-26-19-12-16(13-23-21-22-10-11-28-21)6-9-18(19)27-14-20(25)24-17-7-4-15(2)5-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRDCPWKIWUMPAPM-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.48
Rot. Bonds9

About 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66539460) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66539460
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCCOc1cc(CNc2nccs2)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-26-19-12-16(13-23-21-22-10-11-28-21)6-9-18(19)27-14-20(25)24-17-7-4-15(2)5-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyRDCPWKIWUMPAPM-UHFFFAOYSA-N
XLogP4.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-acetamidoanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539076
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287
2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539158
2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51993011
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953
2-[4-[(2,5-dichloroanilino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539468
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
4-chloro-3-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539562
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 17434847
2-[4-[(3-chloro-4-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273143
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 66539460) is 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is CCOc1cc(CNc2nccs2)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is RDCPWKIWUMPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-26-19-12-16(13-23-21-22-10-11-28-21)6-9-18(19)27-14-20(25)24-17-7-4-15(2)5-8-17/h4-12H,3,13-14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66539460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).