2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide

C12H20N4O4S — CID 106240994

IUPAC2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C12H20N4O4S/c1-2-5-14-12-10(4-3-6-15-12)21(18,19)16-7-8-20-9-11(13)17/h3-4,6,16H,2,5,7-9H2,1H3,(H2,13,17)(H,14,15)
InChIKeyYDDJRKSZPSMQEZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.32
Rot. Bonds10

About 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide

2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide (PubChem CID 106240994) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
PubChem CID106240994
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
SMILESCCCNc1ncccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C12H20N4O4S/c1-2-5-14-12-10(4-3-6-15-12)21(18,19)16-7-8-20-9-11(13)17/h3-4,6,16H,2,5,7-9H2,1H3,(H2,13,17)(H,14,15)
InChIKeyYDDJRKSZPSMQEZ-UHFFFAOYSA-N
XLogP-0.32
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
2-[2-[[3-(methylamino)-2-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106241007
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
2-[(2-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 43545765
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide (CID 106240994) is 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide is CCCNc1ncccc1S(=O)(=O)NCCOCC(N)=O.
What is the InChIKey of 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide?
The InChIKey is YDDJRKSZPSMQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-2-5-14-12-10(4-3-6-15-12)21(18,19)16-7-8-20-9-11(13)17/h3-4,6,16H,2,5,7-9H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide?
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide has a molecular weight of 316.38 g/mol, XLogP of -0.32, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).