N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H25FN4O4S — CID 155464180

IUPACN-(1-cyclopropylimidazol-4-yl)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)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-14(2)18-9-16(24)10-19(15-6-7-25-22(8-15)32-3)20(18)11-21(29)27-33(30,31)23-12-28(13-26-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyMYVBIWGPDLBKJF-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.60
Rot. Bonds8

About N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155464180) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155464180
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC NameN-(1-cyclopropylimidazol-4-yl)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)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H25FN4O4S/c1-14(2)18-9-16(24)10-19(15-6-7-25-22(8-15)32-3)20(18)11-21(29)27-33(30,31)23-12-28(13-26-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29)
InChIKeyMYVBIWGPDLBKJF-UHFFFAOYSA-N
XLogP3.60
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide with MolForge

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Related Compounds

US11530200, Example 6
CID 155463774
US11530200, Example 21
CID 155463881
US11530200, Example 20
CID 155464077
1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea
CID 137509871
16,16-Dimethyl-11,11-dioxo-6-propan-2-yl-18-oxa-11lambda6-thia-10,13,15,20-tetrazatetracyclo[17.3.1.112,15.02,7]tetracosa-1(23),2(7),3,5,12(24),13,19,21-octaen-9-one
CID 156107108
[4-[2-Amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] 1-methylimidazole-4-sulfonate
CID 87746651
1-[4-Fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea
CID 137510040
N-[[6-(dimethylamino)-4-methyl-3-pyridinyl]sulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463996
N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464145
N-[6-(dimethylamino)pyrazin-2-yl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464315
N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155761108
N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 159334987

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155464180) is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(1-cyclopropylimidazol-4-yl)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)c2cn(C3CC3)cn2)ccn1.
What is the InChIKey of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is MYVBIWGPDLBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-14(2)18-9-16(24)10-19(15-6-7-25-22(8-15)32-3)20(18)11-21(29)27-33(30,31)23-12-28(13-26-23)17-4-5-17/h6-10,12-14,17H,4-5,11H2,1-3H3,(H,27,29).
What are the key properties of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155464180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).