N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide

C32H33N3O6S — CID 68504043

IUPACN,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
SMILESCCN(CC)C(=O)C(Cc1ccc(NC(=O)c2cccc(OC)c2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H33N3O6S/c1-4-35(5-2)32(38)29(31(37)34-42(39,40)28-18-15-23-9-6-7-10-24(23)21-28)19-22-13-16-26(17-14-22)33-30(36)25-11-8-12-27(20-25)41-3/h6-18,20-21,29H,4-5,19H2,1-3H3,(H,33,36)(H,34,37)
InChIKeyUVSPMDBATAAIFV-UHFFFAOYSA-N
MW587.70 g/mol
LogP4.63
Rot. Bonds11

About N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide

N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide (PubChem CID 68504043) has the molecular formula C32H33N3O6S and a molecular weight of 587.70 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
PubChem CID68504043
Molecular FormulaC32H33N3O6S
Molecular Weight587.70 g/mol
Exact Mass587.21
IUPAC NameN,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
SMILESCCN(CC)C(=O)C(Cc1ccc(NC(=O)c2cccc(OC)c2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H33N3O6S/c1-4-35(5-2)32(38)29(31(37)34-42(39,40)28-18-15-23-9-6-7-10-24(23)21-28)19-22-13-16-26(17-14-22)33-30(36)25-11-8-12-27(20-25)41-3/h6-18,20-21,29H,4-5,19H2,1-3H3,(H,33,36)(H,34,37)
InChIKeyUVSPMDBATAAIFV-UHFFFAOYSA-N
XLogP4.63
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.70
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(3-chlorobenzoyl)amino]phenyl]methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68510706
N,N-diethyl-2-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68507850
2-[[4-[(4,5-dimethylfuran-2-carbonyl)amino]phenyl]methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68510761
N,N-diethyl-N'-naphthalen-2-ylsulfonyl-2-[[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]methyl]propanediamide
CID 68512971
N,N-diethyl-2-[[4-[(1-methylcyclopropanecarbonyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68511558
(2S)-2-[[4-[(2-amino-5-methylbenzoyl)amino]phenyl]methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonylpropanediamide
CID 25155945
N,N-diethyl-2-[[4-[(3-methylfuran-2-carbonyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68503547
N,N-diethyl-N'-naphthalen-2-ylsulfonyl-2-[[3-(pyridine-2-carbonylamino)phenyl]methyl]propanediamide
CID 68508801
N,N-diethyl-N'-naphthalen-2-ylsulfonyl-2-[[4-[[2-(thiophene-2-carbonyl)-3H-thiophene-2-carbonyl]amino]phenyl]methyl]propanediamide
CID 141229288
N-[4-[2-(4-methylpiperazine-1-carbonyl)-3-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]phenyl]benzamide
CID 68507325
methyl 4-[2-[ethyl(phenyl)carbamoyl]-3-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzoate
CID 68508587
2-[3-[4-[(2-amino-6-fluorobenzoyl)amino]phenyl]propyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonylpropanediamide
CID 68507261

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide?
The IUPAC name of N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide (CID 68504043) is N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide.
What is the SMILES notation for N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide?
The canonical SMILES for N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide is CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2cccc(OC)c2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide?
The InChIKey is UVSPMDBATAAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O6S/c1-4-35(5-2)32(38)29(31(37)34-42(39,40)28-18-15-23-9-6-7-10-24(23)21-28)19-22-13-16-26(17-14-22)33-30(36)25-11-8-12-27(20-25)41-3/h6-18,20-21,29H,4-5,19H2,1-3H3,(H,33,36)(H,34,37).
What are the key properties of N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide?
N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide has a molecular weight of 587.70 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-N'-naphthalen-2-ylsulfonylpropanediamide is sourced from PubChem (CID 68504043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).