N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C23H26ClN5O3S — CID 24589690

IUPACN-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1nnc(N2CCOCC2)n1-c1cccc(C)c1
InChIInChI=1S/C23H26ClN5O3S/c1-16-4-3-5-18(14-16)29-22(28-9-11-32-12-10-28)26-27-23(29)33-13-8-21(30)25-19-15-17(24)6-7-20(19)31-2/h3-7,14-15H,8-13H2,1-2H3,(H,25,30)
InChIKeyOZQJBAXQULARFM-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.20
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 24589690) has the molecular formula C23H26ClN5O3S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID24589690
Molecular FormulaC23H26ClN5O3S
Molecular Weight488.01 g/mol
Exact Mass487.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCSc1nnc(N2CCOCC2)n1-c1cccc(C)c1
InChIInChI=1S/C23H26ClN5O3S/c1-16-4-3-5-18(14-16)29-22(28-9-11-32-12-10-28)26-27-23(29)33-13-8-21(30)25-19-15-17(24)6-7-20(19)31-2/h3-7,14-15H,8-13H2,1-2H3,(H,25,30)
InChIKeyOZQJBAXQULARFM-UHFFFAOYSA-N
XLogP4.20
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46608946
N-(2,5-diethoxyphenyl)-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 36700176
N-methyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40659878
3-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 55482046
N-(2-methoxyethyl)-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40659872
2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 46826118
ethyl 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 40659833
N-(5-chloro-2-methoxyphenyl)-2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2229588
N-[2,6-di(propan-2-yl)phenyl]-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27762452
N-(5-chloro-2-methoxyphenyl)-3-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24589704
N-(5-chloro-2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46826083
N-(3-fluorophenyl)-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27762460

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 24589690) is N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is COc1ccc(Cl)cc1NC(=O)CCSc1nnc(N2CCOCC2)n1-c1cccc(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is OZQJBAXQULARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3S/c1-16-4-3-5-18(14-16)29-22(28-9-11-32-12-10-28)26-27-23(29)33-13-8-21(30)25-19-15-17(24)6-7-20(19)31-2/h3-7,14-15H,8-13H2,1-2H3,(H,25,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 488.01 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 24589690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).