4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

C20H23FN2OS — CID 25393472

IUPAC4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C20H23FN2OS/c1-3-23(4-2)15-10-8-14(9-11-15)20(24)22-18-12-13-25-19-16(18)6-5-7-17(19)21/h5-11,18H,3-4,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyZITYKQIBNAYSJS-SFHVURJKSA-N
MW358.48 g/mol
LogP4.64
Rot. Bonds5

About 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide

4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (PubChem CID 25393472) has the molecular formula C20H23FN2OS and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
PubChem CID25393472
Molecular FormulaC20H23FN2OS
Molecular Weight358.48 g/mol
Exact Mass358.15
IUPAC Name4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1
InChIInChI=1S/C20H23FN2OS/c1-3-23(4-2)15-10-8-14(9-11-15)20(24)22-18-12-13-25-19-16(18)6-5-7-17(19)21/h5-11,18H,3-4,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyZITYKQIBNAYSJS-SFHVURJKSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
4-(dimethylsulfamoyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26007631
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17477542
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17394546
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 17475582
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071
2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
CID 119727121
N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-nitrobenzamide
CID 25401649
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide (CID 25393472) is 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is CCN(CC)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
The InChIKey is ZITYKQIBNAYSJS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN2OS/c1-3-23(4-2)15-10-8-14(9-11-15)20(24)22-18-12-13-25-19-16(18)6-5-7-17(19)21/h5-11,18H,3-4,12-13H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide?
4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide has a molecular weight of 358.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide is sourced from PubChem (CID 25393472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).