(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide

C21H18N2O3S — CID 7183598

IUPAC(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c1-15-14-17(23(25)26)12-13-19(15)22-21(24)20(16-8-4-2-5-9-16)27-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyMDSFRQUZYVVZIQ-HXUWFJFHSA-N
MW378.45 g/mol
LogP5.38
Rot. Bonds6

About (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 7183598) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID7183598
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c1-15-14-17(23(25)26)12-13-19(15)22-21(24)20(16-8-4-2-5-9-16)27-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyMDSFRQUZYVVZIQ-HXUWFJFHSA-N
XLogP5.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.38
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-(3-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 18894428
N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 21169110
3-methyl-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23101136
(2R)-N-(2-fluoro-5-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1343901
3,3-dimethyl-N-[3-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18907530
4-methyl-N-[3-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907242
2-(4-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)-2-phenylacetamide
CID 22780313
2,4-dichloro-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21170406
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591
N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
CID 2891424
N-[4-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 21169111
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905227

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 7183598) is (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is MDSFRQUZYVVZIQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-15-14-17(23(25)26)12-13-19(15)22-21(24)20(16-8-4-2-5-9-16)27-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 378.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 7183598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).