N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide

C17H19NO2S — CID 87840902

IUPACN-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide
SMILESO=C(CCCSCc1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C17H19NO2S/c19-17(18-20)7-4-12-21-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-13H2,(H,18,19)
InChIKeySRIFDEBSLAXYND-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.87
Rot. Bonds7

About N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide

N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide (PubChem CID 87840902) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide
PubChem CID87840902
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide
SMILESO=C(CCCSCc1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C17H19NO2S/c19-17(18-20)7-4-12-21-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-13H2,(H,18,19)
InChIKeySRIFDEBSLAXYND-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
4-benzylsulfanylbutanoic acid
CID 22388924
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
2-[(4-phenylphenyl)methylsulfanyl]acetic acid
CID 22156882
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
4-(dimethylamino)-N-[(2R)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxo-1-(4-phenylanilino)propan-2-yl]benzamide
CID 11466533
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
4-(3-phenylpropylsulfanylmethyl)benzoic acid
CID 82178239
4-(2,5-diphenylpyrrol-1-yl)-N-hydroxybutanamide
CID 155384826

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide?
The IUPAC name of N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide (CID 87840902) is N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide.
What is the SMILES notation for N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide?
The canonical SMILES for N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide is O=C(CCCSCc1ccc(-c2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide?
The InChIKey is SRIFDEBSLAXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(18-20)7-4-12-21-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-3,5-6,8-11,20H,4,7,12-13H2,(H,18,19).
What are the key properties of N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide?
N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide has a molecular weight of 301.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-phenylphenyl)methylsulfanyl]butanamide is sourced from PubChem (CID 87840902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).