3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

C18H21N3O5S — CID 17192941

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(2)14-3-5-15(6-4-14)20-18(22)11-12-19-27(25,26)17-9-7-16(8-10-17)21(23)24/h3-10,13,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyIHUIBSCHIBGQNA-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.03
Rot. Bonds8

About 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 17192941) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID17192941
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H21N3O5S/c1-13(2)14-3-5-15(6-4-14)20-18(22)11-12-19-27(25,26)17-9-7-16(8-10-17)21(23)24/h3-10,13,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyIHUIBSCHIBGQNA-UHFFFAOYSA-N
XLogP3.03
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.03
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

3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 17192958
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192926
N-[4-[[3-[(4-propan-2-ylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24682845

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide (CID 17192941) is 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IHUIBSCHIBGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(2)14-3-5-15(6-4-14)20-18(22)11-12-19-27(25,26)17-9-7-16(8-10-17)21(23)24/h3-10,13,19H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 391.45 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 17192941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).