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

C23H25FN4O3S — CID 159334987

IUPACN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H25FN4O3S/c1-14(2)19-9-17(24)10-20(16-6-7-25-15(3)8-16)21(19)11-22(29)27-32(30,31)23-12-28(13-26-23)18-4-5-18/h6-10,12-14,18H,4-5,11H2,1-3H3,(H,27,29)
InChIKeySXCINUSMARLUAR-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.90
Rot. Bonds7

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

N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 159334987) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID159334987
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cn(C3CC3)cn2)ccn1
InChIInChI=1S/C23H25FN4O3S/c1-14(2)19-9-17(24)10-20(16-6-7-25-15(3)8-16)21(19)11-22(29)27-32(30,31)23-12-28(13-26-23)18-4-5-18/h6-10,12-14,18H,4-5,11H2,1-3H3,(H,27,29)
InChIKeySXCINUSMARLUAR-UHFFFAOYSA-N
XLogP3.90
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 159334987) is N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is Cc1cc(-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-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is SXCINUSMARLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-14(2)19-9-17(24)10-20(16-6-7-25-15(3)8-16)21(19)11-22(29)27-32(30,31)23-12-28(13-26-23)18-4-5-18/h6-10,12-14,18H,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-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-4-yl)sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 159334987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).