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

C24H34FN3O4S — CID 155433790

IUPACN-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C
InChIInChI=1S/C24H34FN3O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)16-22-20(17(3)4)14-19(25)15-21(22)18-9-10-26-24(13-18)32-5/h9-10,13-15,17H,6-8,11-12,16H2,1-5H3,(H,27,29)
InChIKeyQWNCGLVOMSENBE-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.74
Rot. Bonds12

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

N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 155433790) has the molecular formula C24H34FN3O4S and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID155433790
Molecular FormulaC24H34FN3O4S
Molecular Weight479.62 g/mol
Exact Mass479.23
IUPAC NameN-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C
InChIInChI=1S/C24H34FN3O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)16-22-20(17(3)4)14-19(25)15-21(22)18-9-10-26-24(13-18)32-5/h9-10,13-15,17H,6-8,11-12,16H2,1-5H3,(H,27,29)
InChIKeyQWNCGLVOMSENBE-UHFFFAOYSA-N
XLogP3.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 155433790) is N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is CCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccnc(OC)c2)cc(F)cc1C(C)C.
What is the InChIKey of N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is QWNCGLVOMSENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O4S/c1-6-28(7-2)11-8-12-33(30,31)27-23(29)16-22-20(17(3)4)14-19(25)15-21(22)18-9-10-26-24(13-18)32-5/h9-10,13-15,17H,6-8,11-12,16H2,1-5H3,(H,27,29).
What are the key properties of N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 479.62 g/mol, XLogP of 3.74, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propylsulfonyl]-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 155433790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).