N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide

C17H19ClN2O4S — CID 9320671

IUPACN-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-14-8-9-16(24-3)17(10-14)25(22,23)20(2)11-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyDKWPLDMQARFAQV-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.13
Rot. Bonds6

About N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 9320671) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID9320671
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-14-8-9-16(24-3)17(10-14)25(22,23)20(2)11-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyDKWPLDMQARFAQV-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
N-[4-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 31391604
N-[4-methoxy-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 9406654
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106527
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N-[4-methyl-3-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]sulfamoyl]phenyl]acetamide
CID 31821752
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 32941920

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide (CID 9320671) is N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is DKWPLDMQARFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(21)19-14-8-9-16(24-3)17(10-14)25(22,23)20(2)11-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 9320671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).