(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide

C19H22N2O5S — CID 8569521

IUPAC(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O5S/c1-13(27(25,26)17-11-9-16(10-12-17)21(23)24)18(22)20-15-7-5-14(6-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyYLONKRCQQDRNKC-CYBMUJFWSA-N
MW390.46 g/mol
LogP3.69
Rot. Bonds5

About (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide

(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide (PubChem CID 8569521) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
PubChem CID8569521
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
SMILESC[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O5S/c1-13(27(25,26)17-11-9-16(10-12-17)21(23)24)18(22)20-15-7-5-14(6-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1
InChIKeyYLONKRCQQDRNKC-CYBMUJFWSA-N
XLogP3.69
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
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

(2S)-2-(4-nitrophenyl)sulfonylpropanoate
CID 2463157
[(2R)-1-anilino-1-oxopropan-2-yl] (2R)-2-(4-nitrophenyl)sulfonylpropanoate
CID 8984527
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
CID 8571974
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
2-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)propanamide
CID 162395521
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
2-methylsulfonyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 171705762
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The IUPAC name of (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide (CID 8569521) is (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide is C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The InChIKey is YLONKRCQQDRNKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(27(25,26)17-11-9-16(10-12-17)21(23)24)18(22)20-15-7-5-14(6-8-15)19(2,3)4/h5-13H,1-4H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide has a molecular weight of 390.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide is sourced from PubChem (CID 8569521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).