N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide

C17H18N2O4S — CID 35933784

IUPACN-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)15-4-3-5-16(10-15)19-24(22,23)17-8-6-14(7-9-17)11-18-13(2)21/h3-10,19H,11H2,1-2H3,(H,18,21)
InChIKeySNMPBWRHTYCDBO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.33
Rot. Bonds6

About N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 35933784) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID35933784
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)15-4-3-5-16(10-15)19-24(22,23)17-8-6-14(7-9-17)11-18-13(2)21/h3-10,19H,11H2,1-2H3,(H,18,21)
InChIKeySNMPBWRHTYCDBO-UHFFFAOYSA-N
XLogP2.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 171536164
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide (CID 35933784) is N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is SNMPBWRHTYCDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)15-4-3-5-16(10-15)19-24(22,23)17-8-6-14(7-9-17)11-18-13(2)21/h3-10,19H,11H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 35933784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).