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

C20H23N3O3S — CID 55524091

IUPACN-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1
InChIInChI=1S/C20H23N3O3S/c1-21-20(25)23-15-10-8-14(9-11-15)22-19(24)17-6-2-3-7-18(17)27-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyUQECWNIGAOELFL-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.96
Rot. Bonds6

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

N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55524091) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55524091
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1
InChIInChI=1S/C20H23N3O3S/c1-21-20(25)23-15-10-8-14(9-11-15)22-19(24)17-6-2-3-7-18(17)27-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyUQECWNIGAOELFL-UHFFFAOYSA-N
XLogP3.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
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-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
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-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 42888884

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55524091) is N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is CNC(=O)Nc1ccc(NC(=O)c2ccccc2SCC2CCCO2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is UQECWNIGAOELFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-21-20(25)23-15-10-8-14(9-11-15)22-19(24)17-6-2-3-7-18(17)27-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55524091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).