N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide

C14H24N4O3S — CID 119642641

IUPACN-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCCC(N)(CC)CNC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-3-14(15,4-2)11-17-13(19)7-9-18-22(20,21)12-6-5-8-16-10-12/h5-6,8,10,18H,3-4,7,9,11,15H2,1-2H3,(H,17,19)
InChIKeyUFMHZQVSRLFEJQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.38
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide

N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 119642641) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID119642641
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCCC(N)(CC)CNC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H24N4O3S/c1-3-14(15,4-2)11-17-13(19)7-9-18-22(20,21)12-6-5-8-16-10-12/h5-6,8,10,18H,3-4,7,9,11,15H2,1-2H3,(H,17,19)
InChIKeyUFMHZQVSRLFEJQ-UHFFFAOYSA-N
XLogP0.38
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-propylpyridine-3-sulfonamide
CID 43258995
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-oxopropyl]pyridine-3-sulfonamide
CID 31951447

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide (CID 119642641) is N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide is CCC(N)(CC)CNC(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is UFMHZQVSRLFEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-3-14(15,4-2)11-17-13(19)7-9-18-22(20,21)12-6-5-8-16-10-12/h5-6,8,10,18H,3-4,7,9,11,15H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide?
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 328.44 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 119642641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).