N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide

C17H19NO2S — CID 2115838

IUPACN-(4-methoxyphenyl)-4-phenylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-15-11-9-14(10-12-15)18-17(19)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19)
InChIKeyCAFIYPBACVMWQG-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.21
Rot. Bonds7

About N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide

N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide (PubChem CID 2115838) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-phenylsulfanylbutanamide
PubChem CID2115838
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-methoxyphenyl)-4-phenylsulfanylbutanamide
SMILESCOc1ccc(NC(=O)CCCSc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-15-11-9-14(10-12-15)18-17(19)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19)
InChIKeyCAFIYPBACVMWQG-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide 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-(4-Methoxyphenyl)Acetamide
CID 5827
N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
Suplatast
CID 71774
N-[4-(3-Methoxy-phenylsulfanyl)-phenyl]-butyramide
CID 15453821
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
2-methyl-N-(4-phenoxyphenyl)propanamide
CID 874249
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
CID 8796093
methacetin-(methoxy-(13)C)
CID 9793926
7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
N-(4-ethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 972027
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide (CID 2115838) is N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide is COc1ccc(NC(=O)CCCSc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide?
The InChIKey is CAFIYPBACVMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-15-11-9-14(10-12-15)18-17(19)8-5-13-21-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide?
N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide has a molecular weight of 301.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 2115838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).