N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide

C16H19N3O4S — CID 167948439

IUPACN-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C16H19N3O4S/c1-11(20)18-13-7-8-15(23-2)16(9-13)24(21,22)19-14-6-4-3-5-12(14)10-17/h3-9,19H,10,17H2,1-2H3,(H,18,20)
InChIKeyAPGAZGMMEIHTGZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.91
Rot. Bonds6

About N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide

N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide (PubChem CID 167948439) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
PubChem CID167948439
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1CN
InChIInChI=1S/C16H19N3O4S/c1-11(20)18-13-7-8-15(23-2)16(9-13)24(21,22)19-14-6-4-3-5-12(14)10-17/h3-9,19H,10,17H2,1-2H3,(H,18,20)
InChIKeyAPGAZGMMEIHTGZ-UHFFFAOYSA-N
XLogP1.91
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307
N-[3-[(3-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952377
N-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methoxybenzamide
CID 75401840
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-[4-methoxy-3-(1,2-oxazol-3-ylsulfamoyl)phenyl]acetamide
CID 51699029
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide (CID 167948439) is N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1CN.
What is the InChIKey of N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
The InChIKey is APGAZGMMEIHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(20)18-13-7-8-15(23-2)16(9-13)24(21,22)19-14-6-4-3-5-12(14)10-17/h3-9,19H,10,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide?
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 167948439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).