4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H23N3O4S — CID 18567974

IUPAC4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCCc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C22H23N3O4S/c1-28-18-8-6-16(7-9-18)21(27)25-22-24-17(14-30-22)13-20(26)23-11-10-15-4-3-5-19(12-15)29-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyBUTYCKQPCHYTTI-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.31
Rot. Bonds9

About 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567974) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567974
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(=O)NCCc3cccc(OC)c3)cs2)cc1
InChIInChI=1S/C22H23N3O4S/c1-28-18-8-6-16(7-9-18)21(27)25-22-24-17(14-30-22)13-20(26)23-11-10-15-4-3-5-19(12-15)29-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,25,27)
InChIKeyBUTYCKQPCHYTTI-UHFFFAOYSA-N
XLogP3.31
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173542
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
2-({[(4-methoxybenzoyl)amino]carbothioyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1000196
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18567974) is 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CC(=O)NCCc3cccc(OC)c3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BUTYCKQPCHYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-28-18-8-6-16(7-9-18)21(27)25-22-24-17(14-30-22)13-20(26)23-11-10-15-4-3-5-19(12-15)29-2/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)(H,24,25,27).
What are the key properties of 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).