(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C19H20BrNOS — CID 7785405

IUPAC(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H20BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,21,22)/t13-,18-/m1/s1
InChIKeyDPLJOUHMEYYOHR-FZKQIMNGSA-N
MW390.35 g/mol
LogP5.12
Rot. Bonds4

About (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 7785405) has the molecular formula C19H20BrNOS and a molecular weight of 390.35 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID7785405
Molecular FormulaC19H20BrNOS
Molecular Weight390.35 g/mol
Exact Mass389.04
IUPAC Name(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H20BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,21,22)/t13-,18-/m1/s1
InChIKeyDPLJOUHMEYYOHR-FZKQIMNGSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29318003
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99949580
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986649
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7986648
(2R)-2-(2-fluorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 8830674
2-(4-bromophenyl)sulfanyl-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55824512
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-bromobenzoate
CID 7478045
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785079
(2S)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7145103
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7145104
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 7785405) is (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is DPLJOUHMEYYOHR-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H20BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,21,22)/t13-,18-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 390.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 7785405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).