2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

C23H25N5O5S — CID 20674768

IUPAC2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(Cc1ccccc1)N(N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H25N5O5S/c1-26(16-14-19-9-5-6-15-25-19)23(29)22(17-18-7-3-2-4-8-18)27(24)34(32,33)21-12-10-20(11-13-21)28(30)31/h2-13,15,22H,14,16-17,24H2,1H3
InChIKeyISEDKXCZEYIWJC-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.17
Rot. Bonds10

About 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide

2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 20674768) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID20674768
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(Cc1ccccc1)N(N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H25N5O5S/c1-26(16-14-19-9-5-6-15-25-19)23(29)22(17-18-7-3-2-4-8-18)27(24)34(32,33)21-12-10-20(11-13-21)28(30)31/h2-13,15,22H,14,16-17,24H2,1H3
InChIKeyISEDKXCZEYIWJC-UHFFFAOYSA-N
XLogP2.17
TPSA139.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 15906447
2-benzyl-4-[methyl(2-pyridin-2-ylethyl)amino]-4-oxobutanoic acid
CID 19785085
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
N-benzyl-4-nitro-N-pyridin-2-ylbenzenesulfonamide
CID 1087314
(2R)-N-methyl-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20587656
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
CID 167889643
2-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide
CID 133462710
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
CID 28963656

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide (CID 20674768) is 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)C(Cc1ccccc1)N(N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is ISEDKXCZEYIWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-26(16-14-19-9-5-6-15-25-19)23(29)22(17-18-7-3-2-4-8-18)27(24)34(32,33)21-12-10-20(11-13-21)28(30)31/h2-13,15,22H,14,16-17,24H2,1H3.
What are the key properties of 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide?
2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 483.55 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(4-nitrophenyl)sulfonylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 20674768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).