2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide

C25H25N3O3S — CID 24676894

IUPAC2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1
InChIInChI=1S/C25H25N3O3S/c29-24(22-10-4-5-11-23(22)32-17-21-9-6-16-31-21)26-19-12-14-20(15-13-19)28-25(30)27-18-7-2-1-3-8-18/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,29)(H2,27,28,30)
InChIKeyZVOVZOBNRJVOII-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.85
Rot. Bonds7

About 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide

2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide (PubChem CID 24676894) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
PubChem CID24676894
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1
InChIInChI=1S/C25H25N3O3S/c29-24(22-10-4-5-11-23(22)32-17-21-9-6-16-31-21)26-19-12-14-20(15-13-19)28-25(30)27-18-7-2-1-3-8-18/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,29)(H2,27,28,30)
InChIKeyZVOVZOBNRJVOII-UHFFFAOYSA-N
XLogP5.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9291506
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55477836
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide (CID 24676894) is 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
The InChIKey is ZVOVZOBNRJVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c29-24(22-10-4-5-11-23(22)32-17-21-9-6-16-31-21)26-19-12-14-20(15-13-19)28-25(30)27-18-7-2-1-3-8-18/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,26,29)(H2,27,28,30).
What are the key properties of 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide?
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 24676894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).