N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C22H22ClN3O3S — CID 27286537

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)cs1
InChIInChI=1S/C22H22ClN3O3S/c1-15-24-18(14-30-15)13-29-19-4-2-3-16(11-19)22(27)25-20-12-17(23)5-6-21(20)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,27)
InChIKeyMOOKIUKVWFYQEW-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.77
Rot. Bonds6

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 27286537) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID27286537
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)cs1
InChIInChI=1S/C22H22ClN3O3S/c1-15-24-18(14-30-15)13-29-19-4-2-3-16(11-19)22(27)25-20-12-17(23)5-6-21(20)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,27)
InChIKeyMOOKIUKVWFYQEW-UHFFFAOYSA-N
XLogP4.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-morpholin-4-ylphenyl)benzamide
CID 9265972
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60596892
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 27895508
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
methyl 4-chloro-3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 55445792
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 27286537) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)cs1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is MOOKIUKVWFYQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-15-24-18(14-30-15)13-29-19-4-2-3-16(11-19)22(27)25-20-12-17(23)5-6-21(20)26-7-9-28-10-8-26/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,27).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 443.96 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 27286537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).