N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide

C19H24N4O6S — CID 4802800

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H24N4O6S/c1-5-22(6-2)30(27,28)14-8-10-18(29-4)16(12-14)21-19(24)13-7-9-15(20-3)17(11-13)23(25)26/h7-12,20H,5-6H2,1-4H3,(H,21,24)
InChIKeyQFVDTLHZVDNEJT-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.93
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide (PubChem CID 4802800) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
PubChem CID4802800
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H24N4O6S/c1-5-22(6-2)30(27,28)14-8-10-18(29-4)16(12-14)21-19(24)13-7-9-15(20-3)17(11-13)23(25)26/h7-12,20H,5-6H2,1-4H3,(H,21,24)
InChIKeyQFVDTLHZVDNEJT-UHFFFAOYSA-N
XLogP2.93
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
CID 4878100
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62158129
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1293951
4-(cyclopropylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 24643912

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide (CID 4802800) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
The InChIKey is QFVDTLHZVDNEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S/c1-5-22(6-2)30(27,28)14-8-10-18(29-4)16(12-14)21-19(24)13-7-9-15(20-3)17(11-13)23(25)26/h7-12,20H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide has a molecular weight of 436.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 4802800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).