N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide

C17H20N2O4S — CID 17404307

IUPACN-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1
InChIInChI=1S/C17H20N2O4S/c1-4-13-6-5-7-15(10-13)19-24(21,22)17-11-14(18-12(2)20)8-9-16(17)23-3/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyKSAMVCSJKZPQEQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.02
Rot. Bonds6

About N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 17404307) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID17404307
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1
InChIInChI=1S/C17H20N2O4S/c1-4-13-6-5-7-15(10-13)19-24(21,22)17-11-14(18-12(2)20)8-9-16(17)23-3/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyKSAMVCSJKZPQEQ-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide (CID 17404307) is N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide is CCc1cccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1.
What is the InChIKey of N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is KSAMVCSJKZPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-13-6-5-7-15(10-13)19-24(21,22)17-11-14(18-12(2)20)8-9-16(17)23-3/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 17404307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).