N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide

C19H23N3O7S — CID 2228305

IUPACN-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O7S/c1-3-29-12-4-11-20-30(26,27)16-8-6-15(7-9-16)21-19(23)14-5-10-18(28-2)17(13-14)22(24)25/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyRWQDKGXDGDFTBU-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.56
Rot. Bonds11

About N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide

N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 2228305) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
PubChem CID2228305
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O7S/c1-3-29-12-4-11-20-30(26,27)16-8-6-15(7-9-16)21-19(23)14-5-10-18(28-2)17(13-14)22(24)25/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyRWQDKGXDGDFTBU-UHFFFAOYSA-N
XLogP2.56
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide (CID 2228305) is N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is RWQDKGXDGDFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-3-29-12-4-11-20-30(26,27)16-8-6-15(7-9-16)21-19(23)14-5-10-18(28-2)17(13-14)22(24)25/h5-10,13,20H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 437.47 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 2228305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).