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

C20H25N3O6S — CID 1293951

IUPACN-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H25N3O6S/c1-4-12-22(13-5-2)30(27,28)17-9-7-16(8-10-17)21-20(24)15-6-11-19(29-3)18(14-15)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyUKHOGZGGOUITPE-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.67
Rot. Bonds10

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

N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 1293951) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
PubChem CID1293951
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H25N3O6S/c1-4-12-22(13-5-2)30(27,28)17-9-7-16(8-10-17)21-20(24)15-6-11-19(29-3)18(14-15)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyUKHOGZGGOUITPE-UHFFFAOYSA-N
XLogP3.67
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164
N-[4-(hexylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 4694490
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7303730
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide (CID 1293951) is N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is UKHOGZGGOUITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-4-12-22(13-5-2)30(27,28)17-9-7-16(8-10-17)21-20(24)15-6-11-19(29-3)18(14-15)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide?
N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 435.50 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 1293951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).