(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide

C16H17N3O5S — CID 52501778

IUPAC(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17N3O5S/c1-11-7-6-10-13(19(21)22)14(11)25(23,24)18-16(2,15(17)20)12-8-4-3-5-9-12/h3-10,18H,1-2H3,(H2,17,20)/t16-/m0/s1
InChIKeyZDPKQSJZCGJNEW-INIZCTEOSA-N
MW363.40 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide

(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide (PubChem CID 52501778) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
PubChem CID52501778
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17N3O5S/c1-11-7-6-10-13(19(21)22)14(11)25(23,24)18-16(2,15(17)20)12-8-4-3-5-9-12/h3-10,18H,1-2H3,(H2,17,20)/t16-/m0/s1
InChIKeyZDPKQSJZCGJNEW-INIZCTEOSA-N
XLogP1.58
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2R)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide
CID 52501779
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 103895100
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 43605528
N-(4-hydroxy-3-sulfamoylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 75392215
1-[[(2-methyl-6-nitrophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450102
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
2-methyl-6-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 52698717
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-methyl-N-[(2S)-3-methylbutan-2-yl]-6-nitrobenzenesulfonamide
CID 51946487
N-(3-aminopropyl)-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 119962275
N-(4-aminobutyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60895053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide (CID 52501778) is (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide?
The InChIKey is ZDPKQSJZCGJNEW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11-7-6-10-13(19(21)22)14(11)25(23,24)18-16(2,15(17)20)12-8-4-3-5-9-12/h3-10,18H,1-2H3,(H2,17,20)/t16-/m0/s1.
What are the key properties of (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide?
(2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide has a molecular weight of 363.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]-2-phenylpropanamide is sourced from PubChem (CID 52501778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).