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

C22H23FN2O4S — CID 46443034

IUPACN-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)N(C)CCCOc2ccc(F)cc2)ccc1OCc1cscn1
InChIInChI=1S/C22H23FN2O4S/c1-25(10-3-11-28-19-7-5-17(23)6-8-19)22(26)16-4-9-20(21(12-16)27-2)29-13-18-14-30-15-24-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3
InChIKeyDUVGASZGYCDJHC-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.41
Rot. Bonds10

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

N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 46443034) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID46443034
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)N(C)CCCOc2ccc(F)cc2)ccc1OCc1cscn1
InChIInChI=1S/C22H23FN2O4S/c1-25(10-3-11-28-19-7-5-17(23)6-8-19)22(26)16-4-9-20(21(12-16)27-2)29-13-18-14-30-15-24-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3
InChIKeyDUVGASZGYCDJHC-UHFFFAOYSA-N
XLogP4.41
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
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-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-[(3-butoxyphenyl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55787478
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
4-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 22683971
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842603
N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[3-(3,4-dimethoxyphenyl)propyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86847757
N-[3-(4-fluorophenoxy)propyl]-N-methyl-2-phenylmethoxypyridine-4-carboxamide
CID 60567032

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 46443034) is N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)N(C)CCCOc2ccc(F)cc2)ccc1OCc1cscn1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is DUVGASZGYCDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-25(10-3-11-28-19-7-5-17(23)6-8-19)22(26)16-4-9-20(21(12-16)27-2)29-13-18-14-30-15-24-18/h4-9,12,14-15H,3,10-11,13H2,1-2H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 430.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 46443034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).