N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C25H28N2O5S — CID 27826829

IUPACN-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCOC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-32-23-13-15-24(16-14-23)33(29,30)26-22-11-9-21(10-12-22)25(28)27(17-18-31-2)19-20-7-5-4-6-8-20/h4-16,26H,3,17-19H2,1-2H3
InChIKeyUVHXFBFXOQRLCW-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.17
Rot. Bonds11

About N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 27826829) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID27826829
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCOC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O5S/c1-3-32-23-13-15-24(16-14-23)33(29,30)26-22-11-9-21(10-12-22)25(28)27(17-18-31-2)19-20-7-5-4-6-8-20/h4-16,26H,3,17-19H2,1-2H3
InChIKeyUVHXFBFXOQRLCW-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 43017329
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 27826829) is N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CCOC)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is UVHXFBFXOQRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-3-32-23-13-15-24(16-14-23)33(29,30)26-22-11-9-21(10-12-22)25(28)27(17-18-31-2)19-20-7-5-4-6-8-20/h4-16,26H,3,17-19H2,1-2H3.
What are the key properties of N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 27826829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).