N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide

C17H16FNOS2 — CID 18193181

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCSc2ccccc21
InChIInChI=1S/C17H16FNOS2/c18-12-5-7-13(8-6-12)22-11-17(20)19-15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20)
InChIKeyANVMBRNUIRSYKE-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.27
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 18193181) has the molecular formula C17H16FNOS2 and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID18193181
Molecular FormulaC17H16FNOS2
Molecular Weight333.45 g/mol
Exact Mass333.07
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NC1CCSc2ccccc21
InChIInChI=1S/C17H16FNOS2/c18-12-5-7-13(8-6-12)22-11-17(20)19-15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20)
InChIKeyANVMBRNUIRSYKE-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 7678621
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
2-(4-hydroxyphenyl)sulfanyl-N-(2-oxothiolan-3-yl)acetamide
CID 71873084
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285946
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933647
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17472322
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 39547510
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24643566

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 18193181) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ANVMBRNUIRSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS2/c18-12-5-7-13(8-6-12)22-11-17(20)19-15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 333.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 18193181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).