N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide

C17H19NO2S — CID 10924622

IUPACN-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-3-17(19)18(13-15-7-5-4-6-8-15)21(20)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3/t21-/m0/s1
InChIKeyOEGKVTSQNLJLAT-NRFANRHFSA-N
MW301.41 g/mol
LogP3.46
Rot. Bonds5

About N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide

N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide (PubChem CID 10924622) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
PubChem CID10924622
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-3-17(19)18(13-15-7-5-4-6-8-15)21(20)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3/t21-/m0/s1
InChIKeyOEGKVTSQNLJLAT-NRFANRHFSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The IUPAC name of N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide (CID 10924622) is N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide.
What is the SMILES notation for N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The canonical SMILES for N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide is CCC(=O)N(Cc1ccccc1)[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
The InChIKey is OEGKVTSQNLJLAT-NRFANRHFSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-17(19)18(13-15-7-5-4-6-8-15)21(20)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3/t21-/m0/s1.
What are the key properties of N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide?
N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide has a molecular weight of 301.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(S)-(4-methylphenyl)sulfinyl]propanamide is sourced from PubChem (CID 10924622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).