N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide

C18H21N3O5S — CID 2187430

IUPACN-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5S/c1-2-3-12-19-27(25,26)16-10-8-15(9-11-16)20-18(22)13-14-6-4-5-7-17(14)21(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyIZWVYUOVGYRZIL-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.85
Rot. Bonds9

About N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide

N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 2187430) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
PubChem CID2187430
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H21N3O5S/c1-2-3-12-19-27(25,26)16-10-8-15(9-11-16)20-18(22)13-14-6-4-5-7-17(14)21(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyIZWVYUOVGYRZIL-UHFFFAOYSA-N
XLogP2.85
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 1309880
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-[4-(butylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2938761
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-[4-(butylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 5052998
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-[4-[2-(2-nitroanilino)ethylsulfamoyl]phenyl]acetamide
CID 2952108
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide (CID 2187430) is N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide is CCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is IZWVYUOVGYRZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-3-12-19-27(25,26)16-10-8-15(9-11-16)20-18(22)13-14-6-4-5-7-17(14)21(23)24/h4-11,19H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide?
N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 2187430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).