N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

C20H24ClN3O5S — CID 24614283

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O5S/c1-28-12-9-22-30(26,27)16-7-5-15(6-8-16)20(25)23-18-4-2-3-17(21)19(18)24-10-13-29-14-11-24/h2-8,22H,9-14H2,1H3,(H,23,25)
InChIKeyZOPULTAUZNDBQI-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.35
Rot. Bonds8

About N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 24614283) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID24614283
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O5S/c1-28-12-9-22-30(26,27)16-7-5-15(6-8-16)20(25)23-18-4-2-3-17(21)19(18)24-10-13-29-14-11-24/h2-8,22H,9-14H2,1H3,(H,23,25)
InChIKeyZOPULTAUZNDBQI-UHFFFAOYSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.35
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

3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059936
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119439653
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 24614283) is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is ZOPULTAUZNDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c1-28-12-9-22-30(26,27)16-7-5-15(6-8-16)20(25)23-18-4-2-3-17(21)19(18)24-10-13-29-14-11-24/h2-8,22H,9-14H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 453.95 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24614283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).