2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C21H24ClNOS — CID 11703484

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)(SCc1ccccc1Cl)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H24ClNOS/c1-21(2,25-14-16-9-4-6-12-18(16)22)20(24)23-19-13-7-10-15-8-3-5-11-17(15)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyWRAFJTVSVNKAJJ-LJQANCHMSA-N
MW373.95 g/mol
LogP5.55
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 11703484) has the molecular formula C21H24ClNOS and a molecular weight of 373.95 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID11703484
Molecular FormulaC21H24ClNOS
Molecular Weight373.95 g/mol
Exact Mass373.13
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)(SCc1ccccc1Cl)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H24ClNOS/c1-21(2,25-14-16-9-4-6-12-18(16)22)20(24)23-19-13-7-10-15-8-3-5-11-17(15)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyWRAFJTVSVNKAJJ-LJQANCHMSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.95
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide with MolForge

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Related Compounds

(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9058009
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
CID 11681891
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11918851
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43886405
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chlorobenzoate
CID 7477050

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 11703484) is 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(C)(SCc1ccccc1Cl)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is WRAFJTVSVNKAJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClNOS/c1-21(2,25-14-16-9-4-6-12-18(16)22)20(24)23-19-13-7-10-15-8-3-5-11-17(15)19/h3-6,8-9,11-12,19H,7,10,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 373.95 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 11703484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).