1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C18H26N4O6S — CID 56544359

IUPAC1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C18H26N4O6S/c1-19-18(25)15-7-4-9-22(15)16(23)12-20-17(24)13-5-3-6-14(11-13)29(26,27)21-8-10-28-2/h3,5-6,11,15,21H,4,7-10,12H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyHRZXAKRVXAEDQT-UHFFFAOYSA-N
MW426.50 g/mol
LogP-0.92
Rot. Bonds9

About 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56544359) has the molecular formula C18H26N4O6S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56544359
Molecular FormulaC18H26N4O6S
Molecular Weight426.50 g/mol
Exact Mass426.16
IUPAC Name1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCOC)c1
InChIInChI=1S/C18H26N4O6S/c1-19-18(25)15-7-4-9-22(15)16(23)12-20-17(24)13-5-3-6-14(11-13)29(26,27)21-8-10-28-2/h3,5-6,11,15,21H,4,7-10,12H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyHRZXAKRVXAEDQT-UHFFFAOYSA-N
XLogP-0.92
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
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-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-[2-[(3,4-dipropoxybenzoyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544385
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
1-[2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534236
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55565587

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56544359) is 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)NCCOC)c1.
What is the InChIKey of 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HRZXAKRVXAEDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6S/c1-19-18(25)15-7-4-9-22(15)16(23)12-20-17(24)13-5-3-6-14(11-13)29(26,27)21-8-10-28-2/h3,5-6,11,15,21H,4,7-10,12H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of -0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56544359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).