N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide

C14H23N3O3S — CID 171984429

IUPACN-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide
SMILESCCCCNc1ccncc1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-5-6-8-16-11-7-9-15-10-12(11)21(19,20)17-13(18)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyOSQRSGLJHWQEST-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.14
Rot. Bonds6

About N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide

N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide (PubChem CID 171984429) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide
PubChem CID171984429
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide
SMILESCCCCNc1ccncc1S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-5-6-8-16-11-7-9-15-10-12(11)21(19,20)17-13(18)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyOSQRSGLJHWQEST-UHFFFAOYSA-N
XLogP2.14
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide (CID 171984429) is N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide is CCCCNc1ccncc1S(=O)(=O)NC(=O)C(C)(C)C.
What is the InChIKey of N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide?
The InChIKey is OSQRSGLJHWQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-6-8-16-11-7-9-15-10-12(11)21(19,20)17-13(18)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide?
N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butylamino)-3-pyridinyl]sulfonyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171984429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).