N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide

C14H16IN3O4S — CID 108571226

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H16IN3O4S/c1-9-13(10(2)22-18-9)23(20,21)17-8-7-16-14(19)11-5-3-4-6-12(11)15/h3-6,17H,7-8H2,1-2H3,(H,16,19)
InChIKeyWJAPAGUOMZQHJQ-UHFFFAOYSA-N
MW449.27 g/mol
LogP1.60
Rot. Bonds6

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide (PubChem CID 108571226) has the molecular formula C14H16IN3O4S and a molecular weight of 449.27 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
PubChem CID108571226
Molecular FormulaC14H16IN3O4S
Molecular Weight449.27 g/mol
Exact Mass448.99
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
SMILESCc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccccc1I
InChIInChI=1S/C14H16IN3O4S/c1-9-13(10(2)22-18-9)23(20,21)17-8-7-16-14(19)11-5-3-4-6-12(11)15/h3-6,17H,7-8H2,1-2H3,(H,16,19)
InChIKeyWJAPAGUOMZQHJQ-UHFFFAOYSA-N
XLogP1.60
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321
5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
CID 108571899
3-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571403
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 31754465
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
2-iodo-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 108571250
2-chloro-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]ethyl]benzamide
CID 110636120

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide (CID 108571226) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide is Cc1noc(C)c1S(=O)(=O)NCCNC(=O)c1ccccc1I.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide?
The InChIKey is WJAPAGUOMZQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O4S/c1-9-13(10(2)22-18-9)23(20,21)17-8-7-16-14(19)11-5-3-4-6-12(11)15/h3-6,17H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide has a molecular weight of 449.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide is sourced from PubChem (CID 108571226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).