N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C21H23N3O4S — CID 38496686

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCNS(=O)(=O)c3cc(C)ccc3C)on2)cc1
InChIInChI=1S/C21H23N3O4S/c1-14-5-8-17(9-6-14)18-13-19(28-24-18)21(25)22-10-11-23-29(26,27)20-12-15(2)4-7-16(20)3/h4-9,12-13,23H,10-11H2,1-3H3,(H,22,25)
InChIKeyLULLNFCAKIMXIJ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 38496686) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID38496686
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCNS(=O)(=O)c3cc(C)ccc3C)on2)cc1
InChIInChI=1S/C21H23N3O4S/c1-14-5-8-17(9-6-14)18-13-19(28-24-18)21(25)22-10-11-23-29(26,27)20-12-15(2)4-7-16(20)3/h4-9,12-13,23H,10-11H2,1-3H3,(H,22,25)
InChIKeyLULLNFCAKIMXIJ-UHFFFAOYSA-N
XLogP2.98
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide 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-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
1-benzyl-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-ethylpyrazole-4-carboxamide
CID 78872572
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
1-benzyl-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952970
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 38496686) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCNS(=O)(=O)c3cc(C)ccc3C)on2)cc1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LULLNFCAKIMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-5-8-17(9-6-14)18-13-19(28-24-18)21(25)22-10-11-23-29(26,27)20-12-15(2)4-7-16(20)3/h4-9,12-13,23H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 38496686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).