2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide

C12H19N3O3S — CID 61465790

IUPAC2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,13H2,1-3H3,(H,14,16)
InChIKeyBLEVRVOXARXTAD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.12
Rot. Bonds5

About 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide

2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide (PubChem CID 61465790) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
PubChem CID61465790
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,13H2,1-3H3,(H,14,16)
InChIKeyBLEVRVOXARXTAD-UHFFFAOYSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
CID 43102631
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methylpropanamide
CID 51089546
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide (CID 61465790) is 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide is CNC(=O)C(C)NS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide?
The InChIKey is BLEVRVOXARXTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(13)10-4-6-11(7-5-10)19(17,18)15-9(2)12(16)14-3/h4-9,15H,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide?
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 61465790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).