3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide

C23H25N3O5S — CID 108760331

IUPAC3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2csc(-c3ccccc3C)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5S/c1-14-7-5-6-8-17(14)23-26-16(13-32-23)11-24-20(27)12-25-22(28)15-9-18(29-2)21(31-4)19(10-15)30-3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPMAACVCSCYOJLQ-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.19
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 108760331) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
PubChem CID108760331
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2csc(-c3ccccc3C)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5S/c1-14-7-5-6-8-17(14)23-26-16(13-32-23)11-24-20(27)12-25-22(28)15-9-18(29-2)21(31-4)19(10-15)30-3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyPMAACVCSCYOJLQ-UHFFFAOYSA-N
XLogP3.19
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide (CID 108760331) is 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)NCc2csc(-c3ccccc3C)n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is PMAACVCSCYOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-14-7-5-6-8-17(14)23-26-16(13-32-23)11-24-20(27)12-25-22(28)15-9-18(29-2)21(31-4)19(10-15)30-3/h5-10,13H,11-12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108760331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).