N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C25H29FN4O4S — CID 155463996

IUPACN-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnc(N(C)C)cc2C)ccn1
InChIInChI=1S/C25H29FN4O4S/c1-15(2)19-11-18(26)12-20(17-7-8-27-25(10-17)34-6)21(19)13-24(31)29-35(32,33)22-14-28-23(30(4)5)9-16(22)3/h7-12,14-15H,13H2,1-6H3,(H,29,31)
InChIKeyYJPIOSQHMWQROB-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.84
Rot. Bonds8

About N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155463996) has the molecular formula C25H29FN4O4S and a molecular weight of 500.60 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155463996
Molecular FormulaC25H29FN4O4S
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC NameN-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnc(N(C)C)cc2C)ccn1
InChIInChI=1S/C25H29FN4O4S/c1-15(2)19-11-18(26)12-20(17-7-8-27-25(10-17)34-6)21(19)13-24(31)29-35(32,33)22-14-28-23(30(4)5)9-16(22)3/h7-12,14-15H,13H2,1-6H3,(H,29,31)
InChIKeyYJPIOSQHMWQROB-UHFFFAOYSA-N
XLogP3.84
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155463996) is N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cnc(N(C)C)cc2C)ccn1.
What is the InChIKey of N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is YJPIOSQHMWQROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O4S/c1-15(2)19-11-18(26)12-20(17-7-8-27-25(10-17)34-6)21(19)13-24(31)29-35(32,33)22-14-28-23(30(4)5)9-16(22)3/h7-12,14-15H,13H2,1-6H3,(H,29,31).
What are the key properties of N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 500.60 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155463996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).