N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C23H32FN3O4S — CID 155444982

IUPACN-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCN(C)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C
InChIInChI=1S/C23H32FN3O4S/c1-6-27(4)10-7-11-32(29,30)26-22(28)15-21-19(16(2)3)13-18(24)14-20(21)17-8-9-25-23(12-17)31-5/h8-9,12-14,16H,6-7,10-11,15H2,1-5H3,(H,26,28)
InChIKeyLPEPFIKNVSJZBX-UHFFFAOYSA-N
MW465.59 g/mol
LogP3.35
Rot. Bonds11

About N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155444982) has the molecular formula C23H32FN3O4S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155444982
Molecular FormulaC23H32FN3O4S
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC NameN-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCN(C)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C
InChIInChI=1S/C23H32FN3O4S/c1-6-27(4)10-7-11-32(29,30)26-22(28)15-21-19(16(2)3)13-18(24)14-20(21)17-8-9-25-23(12-17)31-5/h8-9,12-14,16H,6-7,10-11,15H2,1-5H3,(H,26,28)
InChIKeyLPEPFIKNVSJZBX-UHFFFAOYSA-N
XLogP3.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155444982) is N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is CCN(C)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C.
What is the InChIKey of N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is LPEPFIKNVSJZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S/c1-6-27(4)10-7-11-32(29,30)26-22(28)15-21-19(16(2)3)13-18(24)14-20(21)17-8-9-25-23(12-17)31-5/h8-9,12-14,16H,6-7,10-11,15H2,1-5H3,(H,26,28).
What are the key properties of N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 465.59 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155444982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).