N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide

C13H22N4O3S — CID 62152812

IUPACN-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
SMILESCCCNc1ncccc1S(=O)(=O)NC(C)C(=O)NCC
InChIInChI=1S/C13H22N4O3S/c1-4-8-15-12-11(7-6-9-16-12)21(19,20)17-10(3)13(18)14-5-2/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyQDBFTNSHCYYMET-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.71
Rot. Bonds8

About N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide

N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide (PubChem CID 62152812) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
PubChem CID62152812
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
SMILESCCCNc1ncccc1S(=O)(=O)NC(C)C(=O)NCC
InChIInChI=1S/C13H22N4O3S/c1-4-8-15-12-11(7-6-9-16-12)21(19,20)17-10(3)13(18)14-5-2/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyQDBFTNSHCYYMET-UHFFFAOYSA-N
XLogP0.71
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide?
The IUPAC name of N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide (CID 62152812) is N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide?
The canonical SMILES for N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide is CCCNc1ncccc1S(=O)(=O)NC(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide?
The InChIKey is QDBFTNSHCYYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-8-15-12-11(7-6-9-16-12)21(19,20)17-10(3)13(18)14-5-2/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide?
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide is sourced from PubChem (CID 62152812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).