3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide

C19H22N2O5S — CID 110410097

IUPAC3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-16-7-9-17(10-8-16)27(24,25)12-11-19(23)20-13-15-5-3-4-6-18(15)26-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLZWSABSGLFIOLO-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.13
Rot. Bonds8

About 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide

3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 110410097) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID110410097
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-14(22)21-16-7-9-17(10-8-16)27(24,25)12-11-19(23)20-13-15-5-3-4-6-18(15)26-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLZWSABSGLFIOLO-UHFFFAOYSA-N
XLogP2.13
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(2-methoxybenzoyl)amino]phenyl]sulfonylpropanoic acid
CID 18683964
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
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N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
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3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
2-[(4-acetamidophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 16545227
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 2672822

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide (CID 110410097) is 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is LZWSABSGLFIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(22)21-16-7-9-17(10-8-16)27(24,25)12-11-19(23)20-13-15-5-3-4-6-18(15)26-2/h3-10H,11-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide?
3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 110410097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).