N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C21H22ClN3O5S — CID 55340898

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)ccc1Cl
InChIInChI=1S/C21H22ClN3O5S/c1-4-24(5-2)31(29,30)18-12-14(10-11-17(18)22)23-19(26)13(3)25-20(27)15-8-6-7-9-16(15)21(25)28/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyXMTFQQXZQHJCAY-UHFFFAOYSA-N
MW463.94 g/mol
LogP2.99
Rot. Bonds7

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 55340898) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID55340898
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)ccc1Cl
InChIInChI=1S/C21H22ClN3O5S/c1-4-24(5-2)31(29,30)18-12-14(10-11-17(18)22)23-19(26)13(3)25-20(27)15-8-6-7-9-16(15)21(25)28/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyXMTFQQXZQHJCAY-UHFFFAOYSA-N
XLogP2.99
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119679906
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]pentanamide
CID 119266241
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 55504436
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 41293196

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 55340898) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is XMTFQQXZQHJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-4-24(5-2)31(29,30)18-12-14(10-11-17(18)22)23-19(26)13(3)25-20(27)15-8-6-7-9-16(15)21(25)28/h6-13H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 463.94 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55340898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).