N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C21H28N2O4S — CID 17311471

IUPACN-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H28N2O4S/c1-5-27-12-8-11-22-21(24)18-9-6-7-10-19(18)23-28(25,26)20-16(3)13-15(2)14-17(20)4/h6-7,9-10,13-14,23H,5,8,11-12H2,1-4H3,(H,22,24)
InChIKeyNSFLJQGAZYDWSO-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.57
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 17311471) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID17311471
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H28N2O4S/c1-5-27-12-8-11-22-21(24)18-9-6-7-10-19(18)23-28(25,26)20-16(3)13-15(2)14-17(20)4/h6-7,9-10,13-14,23H,5,8,11-12H2,1-4H3,(H,22,24)
InChIKeyNSFLJQGAZYDWSO-UHFFFAOYSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.57
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

2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
N-[(3-chlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 46101926
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
cyanomethyl 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 16578360
N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336942
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3-ethoxypropyl)benzamide
CID 168639161
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 17311471) is N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is CCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is NSFLJQGAZYDWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-27-12-8-11-22-21(24)18-9-6-7-10-19(18)23-28(25,26)20-16(3)13-15(2)14-17(20)4/h6-7,9-10,13-14,23H,5,8,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 17311471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).