N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide

C13H22N4O3S — CID 115357155

IUPACN-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
SMILESCCNc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C13H22N4O3S/c1-5-14-11-8-10(6-7-15-11)21(19,20)16-9-12(18)17-13(2,3)4/h6-8,16H,5,9H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyARZOAMPVCNOCKL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.71
Rot. Bonds6

About N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide

N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide (PubChem CID 115357155) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
PubChem CID115357155
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
SMILESCCNc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C13H22N4O3S/c1-5-14-11-8-10(6-7-15-11)21(19,20)16-9-12(18)17-13(2,3)4/h6-8,16H,5,9H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyARZOAMPVCNOCKL-UHFFFAOYSA-N
XLogP0.71
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]acetamide
CID 115356562
2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526
N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
CID 115357166
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
N-tert-butyl-2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 115356564
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
2-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-4-sulfonamide
CID 63830358
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide (CID 115357155) is N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide is CCNc1cc(S(=O)(=O)NCC(=O)NC(C)(C)C)ccn1.
What is the InChIKey of N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide?
The InChIKey is ARZOAMPVCNOCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-5-14-11-8-10(6-7-15-11)21(19,20)16-9-12(18)17-13(2,3)4/h6-8,16H,5,9H2,1-4H3,(H,14,15)(H,17,18).
What are the key properties of N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide?
N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide is sourced from PubChem (CID 115357155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).