2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide

C20H20N2OS — CID 18894343

IUPAC2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2OS/c1-2-19(24-16-10-6-9-15(21)13-16)20(23)22-18-12-5-8-14-7-3-4-11-17(14)18/h3-13,19H,2,21H2,1H3,(H,22,23)
InChIKeyUYDYFRCAEUDIFX-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.93
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide

2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide (PubChem CID 18894343) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide
PubChem CID18894343
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1cccc(N)c1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H20N2OS/c1-2-19(24-16-10-6-9-15(21)13-16)20(23)22-18-12-5-8-14-7-3-4-11-17(14)18/h3-13,19H,2,21H2,1H3,(H,22,23)
InChIKeyUYDYFRCAEUDIFX-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-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

2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 18894352
N-naphthalen-1-yl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18906005
2-[[3-[1-(naphthalen-1-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895721
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
2-(3-aminophenyl)sulfanyl-N-(4-iodophenyl)butanamide
CID 18894354
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
CID 135715589
N-isoquinolin-8-yl-2-phenylsulfanylbutanamide
CID 166234096
2-(3-aminophenyl)sulfanylbutanoic acid
CID 79133300
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 18894310
2-(3-aminophenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 18894694
2-(3-aminophenyl)sulfanyl-N-(4-butoxyphenyl)butanamide
CID 18894361
2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
CID 18901098

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide (CID 18894343) is 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide is CCC(Sc1cccc(N)c1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide?
The InChIKey is UYDYFRCAEUDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-19(24-16-10-6-9-15(21)13-16)20(23)22-18-12-5-8-14-7-3-4-11-17(14)18/h3-13,19H,2,21H2,1H3,(H,22,23).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide?
2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide has a molecular weight of 336.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 18894343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).