N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

C23H30FN3O3S — CID 155444878

IUPACN-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccncc2)cc(F)c2c1CCC2
InChIInChI=1S/C23H30FN3O3S/c1-3-27(4-2)13-6-14-31(29,30)26-23(28)16-21-18-7-5-8-19(18)22(24)15-20(21)17-9-11-25-12-10-17/h9-12,15H,3-8,13-14,16H2,1-2H3,(H,26,28)
InChIKeyUADBYSUKBDYHHG-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.10
Rot. Bonds10

About N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (PubChem CID 155444878) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
PubChem CID155444878
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccncc2)cc(F)c2c1CCC2
InChIInChI=1S/C23H30FN3O3S/c1-3-27(4-2)13-6-14-31(29,30)26-23(28)16-21-18-7-5-8-19(18)22(24)15-20(21)17-9-11-25-12-10-17/h9-12,15H,3-8,13-14,16H2,1-2H3,(H,26,28)
InChIKeyUADBYSUKBDYHHG-UHFFFAOYSA-N
XLogP3.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (CID 155444878) is N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is CCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccncc2)cc(F)c2c1CCC2.
What is the InChIKey of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The InChIKey is UADBYSUKBDYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-3-27(4-2)13-6-14-31(29,30)26-23(28)16-21-18-7-5-8-19(18)22(24)15-20(21)17-9-11-25-12-10-17/h9-12,15H,3-8,13-14,16H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is sourced from PubChem (CID 155444878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).