N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

C21H21N3O4S — CID 27787175

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(12-19(25)22-15-5-4-6-17(11-15)28-3)21(26)18-13-29-20(23-18)14-7-9-16(27-2)10-8-14/h4-11,13H,12H2,1-3H3,(H,22,25)
InChIKeyBFPRAPYMDHWATP-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 27787175) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID27787175
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(12-19(25)22-15-5-4-6-17(11-15)28-3)21(26)18-13-29-20(23-18)14-7-9-16(27-2)10-8-14/h4-11,13H,12H2,1-3H3,(H,22,25)
InChIKeyBFPRAPYMDHWATP-UHFFFAOYSA-N
XLogP3.54
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2-(4-fluorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 86912165
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 34777688
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 27787175) is N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(OC)c3)cs2)cc1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BFPRAPYMDHWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(12-19(25)22-15-5-4-6-17(11-15)28-3)21(26)18-13-29-20(23-18)14-7-9-16(27-2)10-8-14/h4-11,13H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27787175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).