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

C17H20N2O4S — CID 47062659

IUPACN-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H20N2O4S/c1-12-5-4-6-15(9-12)19-24(21,22)17-10-14(11-18-13(2)20)7-8-16(17)23-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyKRECTZWVIZRTHP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.44
Rot. Bonds6

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

N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 47062659) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID47062659
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H20N2O4S/c1-12-5-4-6-15(9-12)19-24(21,22)17-10-14(11-18-13(2)20)7-8-16(17)23-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyKRECTZWVIZRTHP-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
CID 47062648
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
CID 154745151
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide (CID 47062659) is N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide is COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is KRECTZWVIZRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-5-4-6-15(9-12)19-24(21,22)17-10-14(11-18-13(2)20)7-8-16(17)23-3/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 47062659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).