N-[2-(methanesulfinamidomethyl)phenyl]pentanamide

C13H20N2O2S — CID 167063111

IUPACN-[2-(methanesulfinamidomethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1CNS(C)=O
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-13(16)15-12-8-6-5-7-11(12)10-14-18(2)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyVVDBBIPGNWRTRD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(methanesulfinamidomethyl)phenyl]pentanamide

N-[2-(methanesulfinamidomethyl)phenyl]pentanamide (PubChem CID 167063111) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[2-(methanesulfinamidomethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-(methanesulfinamidomethyl)phenyl]pentanamide
PubChem CID167063111
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[2-(methanesulfinamidomethyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1CNS(C)=O
InChIInChI=1S/C13H20N2O2S/c1-3-4-9-13(16)15-12-8-6-5-7-11(12)10-14-18(2)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyVVDBBIPGNWRTRD-UHFFFAOYSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
ethyl [4-[[2-(pentanoylamino)phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931664

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfinamidomethyl)phenyl]pentanamide?
The IUPAC name of N-[2-(methanesulfinamidomethyl)phenyl]pentanamide (CID 167063111) is N-[2-(methanesulfinamidomethyl)phenyl]pentanamide.
What is the SMILES notation for N-[2-(methanesulfinamidomethyl)phenyl]pentanamide?
The canonical SMILES for N-[2-(methanesulfinamidomethyl)phenyl]pentanamide is CCCCC(=O)Nc1ccccc1CNS(C)=O.
What is the InChIKey of N-[2-(methanesulfinamidomethyl)phenyl]pentanamide?
The InChIKey is VVDBBIPGNWRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-4-9-13(16)15-12-8-6-5-7-11(12)10-14-18(2)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(methanesulfinamidomethyl)phenyl]pentanamide?
N-[2-(methanesulfinamidomethyl)phenyl]pentanamide has a molecular weight of 268.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfinamidomethyl)phenyl]pentanamide is sourced from PubChem (CID 167063111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).