2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide

C12H20N4O3S — CID 114804431

IUPAC2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
SMILESCCCNS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C12H20N4O3S/c1-2-6-15-20(18,19)16(9-12(14)17)8-10-4-3-5-11(13)7-10/h3-5,7,15H,2,6,8-9,13H2,1H3,(H2,14,17)
InChIKeyXJYHUABQXGSPEY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.20
Rot. Bonds8

About 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide

2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide (PubChem CID 114804431) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
PubChem CID114804431
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide
SMILESCCCNS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C12H20N4O3S/c1-2-6-15-20(18,19)16(9-12(14)17)8-10-4-3-5-11(13)7-10/h3-5,7,15H,2,6,8-9,13H2,1H3,(H2,14,17)
InChIKeyXJYHUABQXGSPEY-UHFFFAOYSA-N
XLogP-0.20
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
2-[(3-aminophenyl)methyl-(2-ethoxyethylsulfonyl)amino]acetamide
CID 63246039
methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
CID 114461560
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
CID 62899868
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
[2-aminoethyl(propylsulfamoyl)amino]methylbenzene
CID 114803646
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide (CID 114804431) is 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide is CCCNS(=O)(=O)N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide?
The InChIKey is XJYHUABQXGSPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-6-15-20(18,19)16(9-12(14)17)8-10-4-3-5-11(13)7-10/h3-5,7,15H,2,6,8-9,13H2,1H3,(H2,14,17).
What are the key properties of 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide has a molecular weight of 300.38 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(propylsulfamoyl)amino]acetamide is sourced from PubChem (CID 114804431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).