3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide

C24H27N3O6S — CID 58133624

IUPAC3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc(O[C@@H](C)COC)cc(C(=O)Nc3nccs3)c2)c1
InChIInChI=1S/C24H27N3O6S/c1-16(15-31-3)32-20-12-18(23(29)27-24-26-8-10-34-24)13-21(14-20)33-19-6-4-5-17(11-19)22(28)25-7-9-30-2/h4-6,8,10-14,16H,7,9,15H2,1-3H3,(H,25,28)(H,26,27,29)/t16-/m0/s1
InChIKeyTTZRPOQBBWTXJU-INIZCTEOSA-N
MW485.56 g/mol
LogP3.98
Rot. Bonds12

About 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide

3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 58133624) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID58133624
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOCCNC(=O)c1cccc(Oc2cc(O[C@@H](C)COC)cc(C(=O)Nc3nccs3)c2)c1
InChIInChI=1S/C24H27N3O6S/c1-16(15-31-3)32-20-12-18(23(29)27-24-26-8-10-34-24)13-21(14-20)33-19-6-4-5-17(11-19)22(28)25-7-9-30-2/h4-6,8,10-14,16H,7,9,15H2,1-3H3,(H,25,28)(H,26,27,29)/t16-/m0/s1
InChIKeyTTZRPOQBBWTXJU-INIZCTEOSA-N
XLogP3.98
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-methoxypropan-2-yloxy)-5-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 72992298
3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 88531682
[3-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]methylphosphonic acid
CID 58529028
3-[2-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349662
3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 73426769
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 87349177
3-[(2S)-1-methoxypropan-2-yl]oxy-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 73426874
methyl N-[[4-[3-propan-2-yloxy-5-(1,3-thiazol-2-ylcarbamoyl)phenoxy]phenyl]methyl]carbamate
CID 23093077
3-[4-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 11190565
3-[4-(1-hydroxypropyl)phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 10431822
3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxy-5-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 59127134
6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 11317268

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide (CID 58133624) is 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide is COCCNC(=O)c1cccc(Oc2cc(O[C@@H](C)COC)cc(C(=O)Nc3nccs3)c2)c1.
What is the InChIKey of 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is TTZRPOQBBWTXJU-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-16(15-31-3)32-20-12-18(23(29)27-24-26-8-10-34-24)13-21(14-20)33-19-6-4-5-17(11-19)22(28)25-7-9-30-2/h4-6,8,10-14,16H,7,9,15H2,1-3H3,(H,25,28)(H,26,27,29)/t16-/m0/s1.
What are the key properties of 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide?
3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 485.56 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 58133624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).