N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide

C19H23NO2S — CID 95628833

IUPACN-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-2-3-12-19(21)20-18-11-7-10-17(13-18)15-23(22)14-16-8-5-4-6-9-16/h4-11,13H,2-3,12,14-15H2,1H3,(H,20,21)/t23-/m1/s1
InChIKeyGFQZJVHSKNIARQ-HSZRJFAPSA-N
MW329.46 g/mol
LogP4.26
Rot. Bonds8

About N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide

N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide (PubChem CID 95628833) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
PubChem CID95628833
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-2-3-12-19(21)20-18-11-7-10-17(13-18)15-23(22)14-16-8-5-4-6-9-16/h4-11,13H,2-3,12,14-15H2,1H3,(H,20,21)/t23-/m1/s1
InChIKeyGFQZJVHSKNIARQ-HSZRJFAPSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]pentanamide
CID 95628832
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
1-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-3-propylurea
CID 95629078
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
4-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]butanamide
CID 119327284
1-[3-(benzylsulfinylmethyl)phenyl]-3-(2-methylpropyl)urea
CID 56791628
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide?
The IUPAC name of N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide (CID 95628833) is N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide.
What is the SMILES notation for N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide?
The canonical SMILES for N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide is CCCCC(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1.
What is the InChIKey of N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide?
The InChIKey is GFQZJVHSKNIARQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-2-3-12-19(21)20-18-11-7-10-17(13-18)15-23(22)14-16-8-5-4-6-9-16/h4-11,13H,2-3,12,14-15H2,1H3,(H,20,21)/t23-/m1/s1.
What are the key properties of N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide?
N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide has a molecular weight of 329.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(R)-benzylsulfinyl]methyl]phenyl]pentanamide is sourced from PubChem (CID 95628833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).