N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide

C12H19N3O3S — CID 63766968

IUPACN-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(13)8-15(3)19(17,18)12-6-4-11(5-7-12)14-10(2)16/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeySESCKXRSFSRBEE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.61
Rot. Bonds5

About N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide

N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 63766968) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID63766968
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(13)8-15(3)19(17,18)12-6-4-11(5-7-12)14-10(2)16/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeySESCKXRSFSRBEE-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
CID 119660507
bis[[(4-acetamidophenyl)sulfonyl-methylamino]methoxy]-oxophosphanium
CID 70371614
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 9455488
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide (CID 63766968) is N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(C)N)cc1.
What is the InChIKey of N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is SESCKXRSFSRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(13)8-15(3)19(17,18)12-6-4-11(5-7-12)14-10(2)16/h4-7,9H,8,13H2,1-3H3,(H,14,16).
What are the key properties of N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide?
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 63766968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).