2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide

C11H15IN2O4S — CID 11610982

IUPAC2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
SMILESO=C(CI)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H15IN2O4S/c12-8-11(15)13-6-7-19(16,17)14-18-9-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,13,15)
InChIKeyIGUCCNNXTGWRBB-UHFFFAOYSA-N
MW398.22 g/mol
LogP0.59
Rot. Bonds8

About 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide

2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide (PubChem CID 11610982) has the molecular formula C11H15IN2O4S and a molecular weight of 398.22 g/mol. Its IUPAC name is 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide.

Molecular Properties

Compound Name2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
PubChem CID11610982
Molecular FormulaC11H15IN2O4S
Molecular Weight398.22 g/mol
Exact Mass397.98
IUPAC Name2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide
SMILESO=C(CI)NCCS(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C11H15IN2O4S/c12-8-11(15)13-6-7-19(16,17)14-18-9-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,13,15)
InChIKeyIGUCCNNXTGWRBB-UHFFFAOYSA-N
XLogP0.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(phenylmethoxysulfamoyl)butanoic acid
CID 64974140
2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771
benzyl N-[2-(methylsulfamoyl)ethyl]carbamate
CID 110292911
2-methyl-N-phenylmethoxypropane-1-sulfonamide
CID 64973774
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
benzyl N-[2-(3-methylbutylsulfamoyl)ethyl]carbamate
CID 71905538
2-[(2-phenylacetyl)amino]ethanesulfonate
CID 2179692
benzyl N-(2-methylsulfonyl(1,2-13C2)ethyl)carbamate
CID 57370115
2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid
CID 45490396
2-(4-methoxyphenyl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601294
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
1-phenyl-1-(phenylmethoxysulfamoyl)urea
CID 141334106

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide?
The IUPAC name of 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide (CID 11610982) is 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide.
What is the SMILES notation for 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide?
The canonical SMILES for 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide is O=C(CI)NCCS(=O)(=O)NOCc1ccccc1.
What is the InChIKey of 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide?
The InChIKey is IGUCCNNXTGWRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O4S/c12-8-11(15)13-6-7-19(16,17)14-18-9-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H,13,15).
What are the key properties of 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide?
2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide has a molecular weight of 398.22 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(phenylmethoxysulfamoyl)ethyl]acetamide is sourced from PubChem (CID 11610982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).