N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide

C15H23N3O2S — CID 28556237

IUPACN-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCN2CCSCC2)c(N)c1
InChIInChI=1S/C15H23N3O2S/c1-20-12-4-5-14(13(16)11-12)17-15(19)3-2-6-18-7-9-21-10-8-18/h4-5,11H,2-3,6-10,16H2,1H3,(H,17,19)
InChIKeyDJLWKGFDSDCNQZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.04
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide

N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide (PubChem CID 28556237) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
PubChem CID28556237
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CCCN2CCSCC2)c(N)c1
InChIInChI=1S/C15H23N3O2S/c1-20-12-4-5-14(13(16)11-12)17-15(19)3-2-6-18-7-9-21-10-8-18/h4-5,11H,2-3,6-10,16H2,1H3,(H,17,19)
InChIKeyDJLWKGFDSDCNQZ-UHFFFAOYSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296316
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917017

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide (CID 28556237) is N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide is COc1ccc(NC(=O)CCCN2CCSCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide?
The InChIKey is DJLWKGFDSDCNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-20-12-4-5-14(13(16)11-12)17-15(19)3-2-6-18-7-9-21-10-8-18/h4-5,11H,2-3,6-10,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide?
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide has a molecular weight of 309.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide is sourced from PubChem (CID 28556237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).