N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide

C20H25N3O5S — CID 1307165

IUPACN-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H25N3O5S/c1-4-13-22(14-5-2)29(27,28)17-11-9-16(10-12-17)21-20(24)18-8-6-7-15(3)19(18)23(25)26/h6-12H,4-5,13-14H2,1-3H3,(H,21,24)
InChIKeyYMSMPGJHUVNIGA-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.97
Rot. Bonds9

About N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide

N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide (PubChem CID 1307165) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
PubChem CID1307165
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H25N3O5S/c1-4-13-22(14-5-2)29(27,28)17-11-9-16(10-12-17)21-20(24)18-8-6-7-15(3)19(18)23(25)26/h6-12H,4-5,13-14H2,1-3H3,(H,21,24)
InChIKeyYMSMPGJHUVNIGA-UHFFFAOYSA-N
XLogP3.97
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
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

N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N-[4-(dipropylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4929164
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
CID 38299823
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide (CID 1307165) is N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide?
The InChIKey is YMSMPGJHUVNIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-13-22(14-5-2)29(27,28)17-11-9-16(10-12-17)21-20(24)18-8-6-7-15(3)19(18)23(25)26/h6-12H,4-5,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide?
N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide has a molecular weight of 419.50 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 1307165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).