4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide

C26H23N3O4S — CID 55663425

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)cc2)c1
InChIInChI=1S/C26H23N3O4S/c1-32-22-9-5-8-20(14-22)28-24(30)16-33-21-12-10-19(11-13-21)26(31)27-15-25-29-23(17-34-25)18-6-3-2-4-7-18/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyCSOLYSNAFPMMJG-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.77
Rot. Bonds9

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 55663425) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID55663425
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)cc2)c1
InChIInChI=1S/C26H23N3O4S/c1-32-22-9-5-8-20(14-22)28-24(30)16-33-21-12-10-19(11-13-21)26(31)27-15-25-29-23(17-34-25)18-6-3-2-4-7-18/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyCSOLYSNAFPMMJG-UHFFFAOYSA-N
XLogP4.77
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55842822
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 26880186
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55723806
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide (CID 55663425) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCc3nc(-c4ccccc4)cs3)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is CSOLYSNAFPMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-32-22-9-5-8-20(14-22)28-24(30)16-33-21-12-10-19(11-13-21)26(31)27-15-25-29-23(17-34-25)18-6-3-2-4-7-18/h2-14,17H,15-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 55663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).