N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide

C16H17ClN2O5S — CID 1301227

IUPACN-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O5S/c1-11(20)18-13-4-6-14(7-5-13)25(21,22)19-24-10-12-3-8-16(23-2)15(17)9-12/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyNGEVBVBZRCYKHK-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.72
Rot. Bonds7

About N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide

N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide (PubChem CID 1301227) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide
PubChem CID1301227
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC NameN-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O5S/c1-11(20)18-13-4-6-14(7-5-13)25(21,22)19-24-10-12-3-8-16(23-2)15(17)9-12/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyNGEVBVBZRCYKHK-UHFFFAOYSA-N
XLogP2.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide 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 N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide (CID 1301227) is N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide is COc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide?
The InChIKey is NGEVBVBZRCYKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-11(20)18-13-4-6-14(7-5-13)25(21,22)19-24-10-12-3-8-16(23-2)15(17)9-12/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide?
N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide has a molecular weight of 384.84 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methoxyphenyl)methoxysulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1301227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).