N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide

C17H17N3O4S — CID 37263710

IUPACN-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1NC(C)=O
InChIInChI=1S/C17H17N3O4S/c1-12(21)19-16-11-15(7-8-17(16)24-2)25(22,23)20-14-5-3-13(4-6-14)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21)
InChIKeyYOARKIZKPQIBDQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.52
Rot. Bonds6

About N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 37263710) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID37263710
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1NC(C)=O
InChIInChI=1S/C17H17N3O4S/c1-12(21)19-16-11-15(7-8-17(16)24-2)25(22,23)20-14-5-3-13(4-6-14)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21)
InChIKeyYOARKIZKPQIBDQ-UHFFFAOYSA-N
XLogP2.52
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
N-[2-methoxy-5-[(4-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
CID 26951375
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262
N-[4-(cyanomethyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100637490
methyl 5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 95971299
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
N-[5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 31913130
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
N-(4-chlorophenyl)-3-(2-cyanoethylamino)-4-methoxybenzenesulfonamide
CID 70614010

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 37263710) is N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is YOARKIZKPQIBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12(21)19-16-11-15(7-8-17(16)24-2)25(22,23)20-14-5-3-13(4-6-14)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 37263710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).