N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide

C20H22N2O4S — CID 164686970

IUPACN-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cn(Cc3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16-9-11-19(12-10-16)27(24,25)21-13-5-8-18-15-22(20(23)26-18)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3
InChIKeyWHGJXPPMIBUKOP-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.71
Rot. Bonds8

About N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide

N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 164686970) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID164686970
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2cn(Cc3ccccc3)c(=O)o2)cc1
InChIInChI=1S/C20H22N2O4S/c1-16-9-11-19(12-10-16)27(24,25)21-13-5-8-18-15-22(20(23)26-18)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3
InChIKeyWHGJXPPMIBUKOP-UHFFFAOYSA-N
XLogP2.71
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-benzylphenyl)propyl]-4-methylbenzenesulfonamide
CID 101038565
4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
N-[[(3aR,6aR)-2-benzyl-1,3,4-trioxo-3a,6a-dihydrocyclopenta[c]pyrrol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 177437471
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 166869256
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-[3-[(benzylamino)-methylphosphinothioyl]oxypropyl]-4-methylbenzenesulfonamide
CID 11582338

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide (CID 164686970) is N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCc2cn(Cc3ccccc3)c(=O)o2)cc1.
What is the InChIKey of N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is WHGJXPPMIBUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-16-9-11-19(12-10-16)27(24,25)21-13-5-8-18-15-22(20(23)26-18)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,21H,5,8,13-14H2,1H3.
What are the key properties of N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide?
N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-benzyl-2-oxo-1,3-oxazol-5-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164686970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).