4-amino-N-(2-phenylsulfanylphenyl)butanamide

C16H18N2OS — CID 61253617

IUPAC4-amino-N-(2-phenylsulfanylphenyl)butanamide
SMILESNCCCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,17H2,(H,18,19)
InChIKeyVOTZIMRULOAVES-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.52
Rot. Bonds6

About 4-amino-N-(2-phenylsulfanylphenyl)butanamide

4-amino-N-(2-phenylsulfanylphenyl)butanamide (PubChem CID 61253617) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-(2-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylsulfanylphenyl)butanamide
PubChem CID61253617
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-(2-phenylsulfanylphenyl)butanamide
SMILESNCCCC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H18N2OS/c17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,17H2,(H,18,19)
InChIKeyVOTZIMRULOAVES-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8006850
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CID 162717598
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606
4-amino-N-[2-(3-amino-3-oxopropyl)sulfanylphenyl]butanamide;hydrochloride
CID 119317704
N-(2-phenylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112845023
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxopentanoate
CID 8627359
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylsulfanylphenyl)butanamide?
The IUPAC name of 4-amino-N-(2-phenylsulfanylphenyl)butanamide (CID 61253617) is 4-amino-N-(2-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-phenylsulfanylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(2-phenylsulfanylphenyl)butanamide is NCCCC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenylsulfanylphenyl)butanamide?
The InChIKey is VOTZIMRULOAVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-12-6-11-16(19)18-14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,17H2,(H,18,19).
What are the key properties of 4-amino-N-(2-phenylsulfanylphenyl)butanamide?
4-amino-N-(2-phenylsulfanylphenyl)butanamide has a molecular weight of 286.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 61253617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).