N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide

C14H20N2O4S — CID 146090983

IUPACN-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C14H20N2O4S/c1-14(2)8-4-5-11(14)13(17)16-21(18,19)10-6-7-12(20-3)15-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDDLNKVPDRIBOEA-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.72
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 146090983) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID146090983
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)C2CCCC2(C)C)cn1
InChIInChI=1S/C14H20N2O4S/c1-14(2)8-4-5-11(14)13(17)16-21(18,19)10-6-7-12(20-3)15-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDDLNKVPDRIBOEA-UHFFFAOYSA-N
XLogP1.72
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 146090983) is N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide is COc1ccc(S(=O)(=O)NC(=O)C2CCCC2(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is DDLNKVPDRIBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(2)8-4-5-11(14)13(17)16-21(18,19)10-6-7-12(20-3)15-9-10/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)sulfonyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 146090983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).