N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C22H24N2O4S — CID 86847757

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-26-20-10-5-16(12-21(20)27-2)4-3-11-23-22(25)17-6-8-19(9-7-17)28-13-18-14-29-15-24-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeySGYMVMOPQSHUMW-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.10
Rot. Bonds10

About N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86847757) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86847757
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1OC
InChIInChI=1S/C22H24N2O4S/c1-26-20-10-5-16(12-21(20)27-2)4-3-11-23-22(25)17-6-8-19(9-7-17)28-13-18-14-29-15-24-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeySGYMVMOPQSHUMW-UHFFFAOYSA-N
XLogP4.10
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.10
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

N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
N-[2-(3-fluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24550705
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55787478
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
N-[3-(3,4-dimethoxyphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 48586348

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86847757) is N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1ccc(CCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is SGYMVMOPQSHUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-26-20-10-5-16(12-21(20)27-2)4-3-11-23-22(25)17-6-8-19(9-7-17)28-13-18-14-29-15-24-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 412.51 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86847757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).