N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C24H31N3O3S — CID 20935787

IUPACN-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NCCCN(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C24H31N3O3S/c1-18(2)27(17-21-9-6-5-7-10-21)14-8-13-25-31(28,29)24-16-22(12-11-19(24)3)23-15-20(4)26-30-23/h5-7,9-12,15-16,18,25H,8,13-14,17H2,1-4H3
InChIKeyVCXXMNQOUSPJKX-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.54
Rot. Bonds10

About N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20935787) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20935787
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NCCCN(Cc3ccccc3)C(C)C)c2)on1
InChIInChI=1S/C24H31N3O3S/c1-18(2)27(17-21-9-6-5-7-10-21)14-8-13-25-31(28,29)24-16-22(12-11-19(24)3)23-15-20(4)26-30-23/h5-7,9-12,15-16,18,25H,8,13-14,17H2,1-4H3
InChIKeyVCXXMNQOUSPJKX-UHFFFAOYSA-N
XLogP4.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide 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

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-propan-2-ylbenzenesulfonamide
CID 20934958
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
N-[(3S)-3-(azepan-1-yl)butyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 92505391
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylbutyl)benzenesulfonamide
CID 20935805
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 20935012
5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-yl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 20936463
N-(2-ethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934988
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
CID 24793684
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
5-(3-methyl-1,2-oxazol-5-yl)-N-(2-methylphenyl)-2-propan-2-ylbenzenesulfonamide
CID 20936493

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20935787) is N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCCN(Cc3ccccc3)C(C)C)c2)on1.
What is the InChIKey of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is VCXXMNQOUSPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18(2)27(17-21-9-6-5-7-10-21)14-8-13-25-31(28,29)24-16-22(12-11-19(24)3)23-15-20(4)26-30-23/h5-7,9-12,15-16,18,25H,8,13-14,17H2,1-4H3.
What are the key properties of N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(propan-2-yl)amino]propyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20935787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).