N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C24H37FN4O3S — CID 155429470

IUPACN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C24H37FN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30)
InChIKeyUNCDYPYMKBDJPY-UHFFFAOYSA-N
MW480.65 g/mol
LogP4.52
Rot. Bonds9

About N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 155429470) has the molecular formula C24H37FN4O3S and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID155429470
Molecular FormulaC24H37FN4O3S
Molecular Weight480.65 g/mol
Exact Mass480.26
IUPAC NameN-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1
InChIInChI=1S/C24H37FN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30)
InChIKeyUNCDYPYMKBDJPY-UHFFFAOYSA-N
XLogP4.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 155429470) is N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)N(C)C)n(C(C)C)n1.
What is the InChIKey of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is UNCDYPYMKBDJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37FN4O3S/c1-14(2)19-10-18(25)11-20(15(3)4)21(19)12-23(30)27-33(31,32)24-13-22(17(7)28(8)9)29(26-24)16(5)6/h10-11,13-17H,12H2,1-9H3,(H,27,30).
What are the key properties of N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 480.65 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(dimethylamino)ethyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155429470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).