N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide

C23H24N4O5S — CID 27753837

IUPACN-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCN(CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O5S/c1-26(20-7-3-2-4-8-20)16-6-15-24-23(28)18-11-13-19(14-12-18)25-33(31,32)22-10-5-9-21(17-22)27(29)30/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,24,28)
InChIKeyCOSBSHPFOFFXSK-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.65
Rot. Bonds10

About N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide

N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 27753837) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID27753837
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESCN(CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H24N4O5S/c1-26(20-7-3-2-4-8-20)16-6-15-24-23(28)18-11-13-19(14-12-18)25-33(31,32)22-10-5-9-21(17-22)27(29)30/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,24,28)
InChIKeyCOSBSHPFOFFXSK-UHFFFAOYSA-N
XLogP3.65
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55847890
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
CID 97428973

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide (CID 27753837) is N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide is CN(CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is COSBSHPFOFFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-26(20-7-3-2-4-8-20)16-6-15-24-23(28)18-11-13-19(14-12-18)25-33(31,32)22-10-5-9-21(17-22)27(29)30/h2-5,7-14,17,25H,6,15-16H2,1H3,(H,24,28).
What are the key properties of N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide?
N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 468.54 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 27753837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).