N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide

C25H27N3O3S — CID 97428973

IUPACN-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCN(CCCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-28(24-11-6-3-7-12-24)19-8-18-26-25(29)22-13-15-23(16-14-22)27-32(30,31)20-17-21-9-4-2-5-10-21/h2-7,9-17,20,27H,8,18-19H2,1H3,(H,26,29)/b20-17-
InChIKeyVZQKVKQHZVOYQK-JZJYNLBNSA-N
MW449.58 g/mol
LogP4.36
Rot. Bonds10

About N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide

N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 97428973) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID97428973
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCN(CCCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27N3O3S/c1-28(24-11-6-3-7-12-24)19-8-18-26-25(29)22-13-15-23(16-14-22)27-32(30,31)20-17-21-9-4-2-5-10-21/h2-7,9-17,20,27H,8,18-19H2,1H3,(H,26,29)/b20-17-
InChIKeyVZQKVKQHZVOYQK-JZJYNLBNSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
CID 55348887
N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27753837
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074
N-[2-(2-methylcyclohexyl)oxyethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55724201
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide (CID 97428973) is N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide is CN(CCCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is VZQKVKQHZVOYQK-JZJYNLBNSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-28(24-11-6-3-7-12-24)19-8-18-26-25(29)22-13-15-23(16-14-22)27-32(30,31)20-17-21-9-4-2-5-10-21/h2-7,9-17,20,27H,8,18-19H2,1H3,(H,26,29)/b20-17-.
What are the key properties of N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide?
N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 449.58 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 97428973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).