2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide

C15H10ClIN2O2S — CID 4257227

IUPAC2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccccc1I
InChIInChI=1S/C15H10ClIN2O2S/c16-9-5-6-13-12(7-9)19-15(21-13)22-8-14(20)18-11-4-2-1-3-10(11)17/h1-7H,8H2,(H,18,20)
InChIKeyKVHNHFBQRUIENX-UHFFFAOYSA-N
MW444.68 g/mol
LogP4.82
Rot. Bonds4

About 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide (PubChem CID 4257227) has the molecular formula C15H10ClIN2O2S and a molecular weight of 444.68 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
PubChem CID4257227
Molecular FormulaC15H10ClIN2O2S
Molecular Weight444.68 g/mol
Exact Mass443.92
IUPAC Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccccc1I
InChIInChI=1S/C15H10ClIN2O2S/c16-9-5-6-13-12(7-9)19-15(21-13)22-8-14(20)18-11-4-2-1-3-10(11)17/h1-7H,8H2,(H,18,20)
InChIKeyKVHNHFBQRUIENX-UHFFFAOYSA-N
XLogP4.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 112779911
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2379808
2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 7963523
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 5201245
dimethyl 2-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 5026012
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 4021784
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2388695
N-(5-chloro-1,3-benzothiazol-2-yl)-2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 90486805
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 4600571
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-iodophenyl)acetamide
CID 3926264
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 3420454

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide (CID 4257227) is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide is O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccccc1I.
What is the InChIKey of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide?
The InChIKey is KVHNHFBQRUIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2S/c16-9-5-6-13-12(7-9)19-15(21-13)22-8-14(20)18-11-4-2-1-3-10(11)17/h1-7H,8H2,(H,18,20).
What are the key properties of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide?
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide has a molecular weight of 444.68 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 4257227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).