2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

C21H23BrN4O4S — CID 2233633

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN4O4S/c1-15(2)26(13-19-23-21(24-30-19)16-7-5-4-6-8-16)20(27)14-25(3)31(28,29)18-11-9-17(22)10-12-18/h4-12,15H,13-14H2,1-3H3
InChIKeyLVRXUDSJCLTDGC-UHFFFAOYSA-N
MW507.41 g/mol
LogP3.56
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 2233633) has the molecular formula C21H23BrN4O4S and a molecular weight of 507.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID2233633
Molecular FormulaC21H23BrN4O4S
Molecular Weight507.41 g/mol
Exact Mass506.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H23BrN4O4S/c1-15(2)26(13-19-23-21(24-30-19)16-7-5-4-6-8-16)20(27)14-25(3)31(28,29)18-11-9-17(22)10-12-18/h4-12,15H,13-14H2,1-3H3
InChIKeyLVRXUDSJCLTDGC-UHFFFAOYSA-N
XLogP3.56
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 2233633) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is LVRXUDSJCLTDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O4S/c1-15(2)26(13-19-23-21(24-30-19)16-7-5-4-6-8-16)20(27)14-25(3)31(28,29)18-11-9-17(22)10-12-18/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 507.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2233633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).