N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide

C20H25N3O3S — CID 25337509

IUPACN-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H25N3O3S/c1-15-3-5-18(25-2)17(11-15)22-19(24)14-27-20-6-4-16(12-21-20)13-23-7-9-26-10-8-23/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,24)
InChIKeyPJUKGTYJZHCTJF-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.96
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 25337509) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID25337509
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C20H25N3O3S/c1-15-3-5-18(25-2)17(11-15)22-19(24)14-27-20-6-4-16(12-21-20)13-23-7-9-26-10-8-23/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,24)
InChIKeyPJUKGTYJZHCTJF-UHFFFAOYSA-N
XLogP2.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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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
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 75456130
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(5-chloro-2-methoxyphenyl)-2-[[4-(4-chlorophenyl)-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2229588
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207456
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide (CID 25337509) is N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(CN2CCOCC2)cn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is PJUKGTYJZHCTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-3-5-18(25-2)17(11-15)22-19(24)14-27-20-6-4-16(12-21-20)13-23-7-9-26-10-8-23/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 25337509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).