5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C19H31N3O5S — CID 25349046

IUPAC5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H31N3O5S/c1-4-22(5-2)28(24,25)16-8-9-18(20-10-12-26-3)17(13-16)19(23)21-14-15-7-6-11-27-15/h8-9,13,15,20H,4-7,10-12,14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyKFDWOLSSRGXVPI-HNNXBMFYSA-N
MW413.54 g/mol
LogP1.68
Rot. Bonds11

About 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 25349046) has the molecular formula C19H31N3O5S and a molecular weight of 413.54 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID25349046
Molecular FormulaC19H31N3O5S
Molecular Weight413.54 g/mol
Exact Mass413.20
IUPAC Name5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H31N3O5S/c1-4-22(5-2)28(24,25)16-8-9-18(20-10-12-26-3)17(13-16)19(23)21-14-15-7-6-11-27-15/h8-9,13,15,20H,4-7,10-12,14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyKFDWOLSSRGXVPI-HNNXBMFYSA-N
XLogP1.68
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-(2-methoxyethylamino)benzamide
CID 119384520
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
N,N-diethyl-3-nitro-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 18074528
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
4-(2-methoxyethylamino)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99979861
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25470615
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9003858

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 25349046) is 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is KFDWOLSSRGXVPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O5S/c1-4-22(5-2)28(24,25)16-8-9-18(20-10-12-26-3)17(13-16)19(23)21-14-15-7-6-11-27-15/h8-9,13,15,20H,4-7,10-12,14H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 413.54 g/mol, XLogP of 1.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25349046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).