N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide

C12H19N3O3S — CID 63730927

IUPACN-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC(C)CN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(7-13)15-19(17,18)12-5-3-11(4-6-12)8-14-10(2)16/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyZRMONDZRNQEFFT-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.05
Rot. Bonds6

About N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide

N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 63730927) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
PubChem CID63730927
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NC(C)CN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(7-13)15-19(17,18)12-5-3-11(4-6-12)8-14-10(2)16/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyZRMONDZRNQEFFT-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
N-[[4-[(carbamothioylamino)sulfamoyl]phenyl]methyl]acetamide
CID 65214119
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide (CID 63730927) is N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NC(C)CN)cc1.
What is the InChIKey of N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is ZRMONDZRNQEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(7-13)15-19(17,18)12-5-3-11(4-6-12)8-14-10(2)16/h3-6,9,15H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide?
N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-ylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 63730927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).