N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide

C18H22N2O4S — CID 53281637

IUPACN-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)24-17-8-4-15(5-9-17)12-19-25(22,23)18-10-6-16(7-11-18)20-14(3)21/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyCKDAOSZBMBFDCR-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.91
Rot. Bonds7

About N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide

N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 53281637) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID53281637
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-13(2)24-17-8-4-15(5-9-17)12-19-25(22,23)18-10-6-16(7-11-18)20-14(3)21/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyCKDAOSZBMBFDCR-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-(benzylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951794
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3237642
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1262069
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide (CID 53281637) is N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is CKDAOSZBMBFDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(2)24-17-8-4-15(5-9-17)12-19-25(22,23)18-10-6-16(7-11-18)20-14(3)21/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53281637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).