3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

C17H22FNO3S2 — CID 55759460

IUPAC3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H22FNO3S2/c18-14-7-3-6-13-15(8-10-23-17(13)14)19-16(20)9-11-24(21,22)12-4-1-2-5-12/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,19,20)
InChIKeyZMNWZWQNIYVMFB-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.23
Rot. Bonds5

About 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (PubChem CID 55759460) has the molecular formula C17H22FNO3S2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
PubChem CID55759460
Molecular FormulaC17H22FNO3S2
Molecular Weight371.50 g/mol
Exact Mass371.10
IUPAC Name3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NC1CCSc2c(F)cccc21
InChIInChI=1S/C17H22FNO3S2/c18-14-7-3-6-13-15(8-10-23-17(13)14)19-16(20)9-11-24(21,22)12-4-1-2-5-12/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,19,20)
InChIKeyZMNWZWQNIYVMFB-UHFFFAOYSA-N
XLogP3.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (CID 55759460) is 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is O=C(CCS(=O)(=O)C1CCCC1)NC1CCSc2c(F)cccc21.
What is the InChIKey of 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The InChIKey is ZMNWZWQNIYVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S2/c18-14-7-3-6-13-15(8-10-23-17(13)14)19-16(20)9-11-24(21,22)12-4-1-2-5-12/h3,6-7,12,15H,1-2,4-5,8-11H2,(H,19,20).
What are the key properties of 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide has a molecular weight of 371.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is sourced from PubChem (CID 55759460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).