(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide

C16H15ClN2O3S — CID 8580257

IUPAC(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O3S/c1-11(23-10-12-6-8-13(17)9-7-12)16(20)18-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyGZFORQGPNKOLHY-LLVKDONJSA-N
MW350.83 g/mol
LogP4.51
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide

(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide (PubChem CID 8580257) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
PubChem CID8580257
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
SMILESC[C@@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN2O3S/c1-11(23-10-12-6-8-13(17)9-7-12)16(20)18-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyGZFORQGPNKOLHY-LLVKDONJSA-N
XLogP4.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7847873
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581
2-benzylsulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 23858683
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579689
(4-chlorophenyl)methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7104104
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
(2S)-N-(4-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 8580106
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 7793144
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 51167376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide (CID 8580257) is (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide is C[C@@H](SCc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide?
The InChIKey is GZFORQGPNKOLHY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11(23-10-12-6-8-13(17)9-7-12)16(20)18-14-4-2-3-5-15(14)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide?
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide has a molecular weight of 350.83 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 8580257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).