N-[4-(4-thionitrosophenyl)phenyl]pentanamide

C17H18N2OS — CID 118636372

IUPACN-[4-(4-thionitrosophenyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(N=S)cc2)cc1
InChIInChI=1S/C17H18N2OS/c1-2-3-4-17(20)18-15-9-5-13(6-10-15)14-7-11-16(19-21)12-8-14/h5-12H,2-4H2,1H3,(H,18,20)
InChIKeyUBJYQOOAYBGSTI-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.84
Rot. Bonds6

About N-[4-(4-thionitrosophenyl)phenyl]pentanamide

N-[4-(4-thionitrosophenyl)phenyl]pentanamide (PubChem CID 118636372) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(4-thionitrosophenyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-thionitrosophenyl)phenyl]pentanamide
PubChem CID118636372
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[4-(4-thionitrosophenyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(-c2ccc(N=S)cc2)cc1
InChIInChI=1S/C17H18N2OS/c1-2-3-4-17(20)18-15-9-5-13(6-10-15)14-7-11-16(19-21)12-8-14/h5-12H,2-4H2,1H3,(H,18,20)
InChIKeyUBJYQOOAYBGSTI-UHFFFAOYSA-N
XLogP4.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
methyl N-cyano-N'-[4-[4-(pentanoylamino)phenyl]phenyl]carbamimidothioate
CID 118636371
N-[4-[4-(2-ethylbutanoyl)phenyl]phenyl]pentanamide
CID 69331432
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-thionitrosophenyl)phenyl]pentanamide?
The IUPAC name of N-[4-(4-thionitrosophenyl)phenyl]pentanamide (CID 118636372) is N-[4-(4-thionitrosophenyl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(4-thionitrosophenyl)phenyl]pentanamide?
The canonical SMILES for N-[4-(4-thionitrosophenyl)phenyl]pentanamide is CCCCC(=O)Nc1ccc(-c2ccc(N=S)cc2)cc1.
What is the InChIKey of N-[4-(4-thionitrosophenyl)phenyl]pentanamide?
The InChIKey is UBJYQOOAYBGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-3-4-17(20)18-15-9-5-13(6-10-15)14-7-11-16(19-21)12-8-14/h5-12H,2-4H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-thionitrosophenyl)phenyl]pentanamide?
N-[4-(4-thionitrosophenyl)phenyl]pentanamide has a molecular weight of 298.41 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-thionitrosophenyl)phenyl]pentanamide is sourced from PubChem (CID 118636372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).