N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide

C17H20N2O3S — CID 144556813

IUPACN-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide
SMILESO=C(Cc1ccc(OCCCNSc2ccccc2)cc1)NO
InChIInChI=1S/C17H20N2O3S/c20-17(19-21)13-14-7-9-15(10-8-14)22-12-4-11-18-23-16-5-2-1-3-6-16/h1-3,5-10,18,21H,4,11-13H2,(H,19,20)
InChIKeyOPMPDZNPFHNKII-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.80
Rot. Bonds9

About N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide

N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide (PubChem CID 144556813) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide
PubChem CID144556813
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide
SMILESO=C(Cc1ccc(OCCCNSc2ccccc2)cc1)NO
InChIInChI=1S/C17H20N2O3S/c20-17(19-21)13-14-7-9-15(10-8-14)22-12-4-11-18-23-16-5-2-1-3-6-16/h1-3,5-10,18,21H,4,11-13H2,(H,19,20)
InChIKeyOPMPDZNPFHNKII-UHFFFAOYSA-N
XLogP2.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-benzylphenoxy)propylamino]propanoic acid
CID 10425734
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
2-[4-(phenylsulfanylmethoxy)phenyl]acetic acid
CID 54151488
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
benzyl 2-[4-[3-(3-hydroxypropylamino)propoxy]phenyl]acetate
CID 67767401
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]methanesulfonamide
CID 70468040
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide (CID 144556813) is N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide is O=C(Cc1ccc(OCCCNSc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide?
The InChIKey is OPMPDZNPFHNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(19-21)13-14-7-9-15(10-8-14)22-12-4-11-18-23-16-5-2-1-3-6-16/h1-3,5-10,18,21H,4,11-13H2,(H,19,20).
What are the key properties of N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide?
N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-(phenylsulfanylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 144556813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).