(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H16FNOS — CID 66755890

IUPAC(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)[C@H]1CCCc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C17H16FNOS/c18-12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(15)17(19)20/h2,4-5,7-10,16H,1,3,6H2,(H2,19,20)/t16-/m0/s1
InChIKeyAMSAHVXJSSKAOC-INIZCTEOSA-N
MW301.39 g/mol
LogP3.88
Rot. Bonds3

About (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 66755890) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID66755890
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)[C@H]1CCCc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C17H16FNOS/c18-12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(15)17(19)20/h2,4-5,7-10,16H,1,3,6H2,(H2,19,20)/t16-/m0/s1
InChIKeyAMSAHVXJSSKAOC-INIZCTEOSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 66755890) is (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)[C@H]1CCCc2cc(Sc3cccc(F)c3)ccc21.
What is the InChIKey of (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AMSAHVXJSSKAOC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-12-4-2-5-13(10-12)21-14-7-8-15-11(9-14)3-1-6-16(15)17(19)20/h2,4-5,7-10,16H,1,3,6H2,(H2,19,20)/t16-/m0/s1.
What are the key properties of (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 66755890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).