N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C25H29N3O5S — CID 24647039

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(OCc3cscn3)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H29N3O5S/c1-30-23-7-6-18(13-24(23)31-2)22(28-8-10-32-11-9-28)14-26-25(29)19-4-3-5-21(12-19)33-15-20-16-34-17-27-20/h3-7,12-13,16-17,22H,8-11,14-15H2,1-2H3,(H,26,29)
InChIKeyNSMZJQZEZRCJHH-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.54
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 24647039) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID24647039
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(OCc3cscn3)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H29N3O5S/c1-30-23-7-6-18(13-24(23)31-2)22(28-8-10-32-11-9-28)14-26-25(29)19-4-3-5-21(12-19)33-15-20-16-34-17-27-20/h3-7,12-13,16-17,22H,8-11,14-15H2,1-2H3,(H,26,29)
InChIKeyNSMZJQZEZRCJHH-UHFFFAOYSA-N
XLogP3.54
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55658657
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60596892
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31420076
3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55883630

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 24647039) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is COc1ccc(C(CNC(=O)c2cccc(OCc3cscn3)c2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is NSMZJQZEZRCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-30-23-7-6-18(13-24(23)31-2)22(28-8-10-32-11-9-28)14-26-25(29)19-4-3-5-21(12-19)33-15-20-16-34-17-27-20/h3-7,12-13,16-17,22H,8-11,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 483.59 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 24647039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).