2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide

C17H22ClN3O4S — CID 3702192

IUPAC2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O4S/c1-2-3-4-5-11-21(13-17(22)19-16-10-12-25-20-16)26(23,24)15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,20,22)
InChIKeyLJFOHGYHFYGRPY-UHFFFAOYSA-N
MW399.90 g/mol
LogP3.54
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 3702192) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID3702192
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3O4S/c1-2-3-4-5-11-21(13-17(22)19-16-10-12-25-20-16)26(23,24)15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,20,22)
InChIKeyLJFOHGYHFYGRPY-UHFFFAOYSA-N
XLogP3.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide 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-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769416
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
2-[butylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 7217401
N-(1,2-oxazol-3-yl)-2-[propyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 3369625
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 3702192) is 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide is CCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is LJFOHGYHFYGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-2-3-4-5-11-21(13-17(22)19-16-10-12-25-20-16)26(23,24)15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,20,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 399.90 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3702192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).