N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C25H29N3O3S — CID 31420066

IUPACN-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-18-3-5-20(6-4-18)24(15-28-11-13-30-14-12-28)27-25(29)21-7-9-23(10-8-21)31-16-22-17-32-19(2)26-22/h3-10,17,24H,11-16H2,1-2H3,(H,27,29)/t24-/m1/s1
InChIKeyCOQUDVLXAOSATH-XMMPIXPASA-N
MW451.59 g/mol
LogP4.14
Rot. Bonds8

About N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 31420066) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID31420066
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-18-3-5-20(6-4-18)24(15-28-11-13-30-14-12-28)27-25(29)21-7-9-23(10-8-21)31-16-22-17-32-19(2)26-22/h3-10,17,24H,11-16H2,1-2H3,(H,27,29)/t24-/m1/s1
InChIKeyCOQUDVLXAOSATH-XMMPIXPASA-N
XLogP4.14
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 47078883
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
N-[1-(4-ethoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55473945
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
CID 9265972
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 31420066) is N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is COQUDVLXAOSATH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-18-3-5-20(6-4-18)24(15-28-11-13-30-14-12-28)27-25(29)21-7-9-23(10-8-21)31-16-22-17-32-19(2)26-22/h3-10,17,24H,11-16H2,1-2H3,(H,27,29)/t24-/m1/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 451.59 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 31420066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).