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

C17H19ClN2O4S — CID 2664445

IUPACN-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-16-9-8-14(10-17(16)24-3)25(22,23)20(2)11-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYPMVNYYRNMZPHX-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.13
Rot. Bonds6

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

N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 2664445) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID2664445
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-16-9-8-14(10-17(16)24-3)25(22,23)20(2)11-13-6-4-5-7-15(13)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyYPMVNYYRNMZPHX-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

3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
N-[5-[(4-fluorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797927
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide (CID 2664445) is N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide is COc1cc(S(=O)(=O)N(C)Cc2ccccc2Cl)ccc1NC(C)=O.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is YPMVNYYRNMZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(21)19-16-9-8-14(10-17(16)24-3)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-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide?
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-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-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 2664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).