N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide

C26H29N3O5S — CID 4789084

IUPACN-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-4-19-11-13-21(14-12-19)25(30)27-28-26(31)22-15-16-23(34-3)24(17-22)35(32,33)29(5-2)18-20-9-7-6-8-10-20/h6-17H,4-5,18H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLJYKNIMEZHYJKV-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.54
Rot. Bonds9

About N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide

N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide (PubChem CID 4789084) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
PubChem CID4789084
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-4-19-11-13-21(14-12-19)25(30)27-28-26(31)22-15-16-23(34-3)24(17-22)35(32,33)29(5-2)18-20-9-7-6-8-10-20/h6-17H,4-5,18H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLJYKNIMEZHYJKV-UHFFFAOYSA-N
XLogP3.54
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
CID 167908879
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide (CID 4789084) is N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide is CCc1ccc(C(=O)NNC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)Cc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The InChIKey is LJYKNIMEZHYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-4-19-11-13-21(14-12-19)25(30)27-28-26(31)22-15-16-23(34-3)24(17-22)35(32,33)29(5-2)18-20-9-7-6-8-10-20/h6-17H,4-5,18H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide has a molecular weight of 495.60 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4789084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).