N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H26N2O4S — CID 55787478

IUPACN-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O4S/c1-3-4-10-28-20-7-5-6-17(11-20)13-24-23(26)18-8-9-21(22(12-18)27-2)29-14-19-15-30-16-25-19/h5-9,11-12,15-16H,3-4,10,13-14H2,1-2H3,(H,24,26)
InChIKeyCWNUFZFHXMNKNO-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.84
Rot. Bonds11

About N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55787478) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55787478
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1
InChIInChI=1S/C23H26N2O4S/c1-3-4-10-28-20-7-5-6-17(11-20)13-24-23(26)18-8-9-21(22(12-18)27-2)29-14-19-15-30-16-25-19/h5-9,11-12,15-16H,3-4,10,13-14H2,1-2H3,(H,24,26)
InChIKeyCWNUFZFHXMNKNO-UHFFFAOYSA-N
XLogP4.84
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55728220
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46443034

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55787478) is N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is CCCCOc1cccc(CNC(=O)c2ccc(OCc3cscn3)c(OC)c2)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is CWNUFZFHXMNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-3-4-10-28-20-7-5-6-17(11-20)13-24-23(26)18-8-9-21(22(12-18)27-2)29-14-19-15-30-16-25-19/h5-9,11-12,15-16H,3-4,10,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 426.54 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55787478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).