N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C22H23N3O5S — CID 55847017

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O5S/c26-20-11-12-21(27)25(20)14-16-1-5-17(6-2-16)22(28)23-13-15-3-9-19(10-4-15)31(29,30)24-18-7-8-18/h1-6,9-10,18,24H,7-8,11-14H2,(H,23,28)
InChIKeyPKAKGHIHPPAZBR-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.71
Rot. Bonds8

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55847017) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55847017
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O5S/c26-20-11-12-21(27)25(20)14-16-1-5-17(6-2-16)22(28)23-13-15-3-9-19(10-4-15)31(29,30)24-18-7-8-18/h1-6,9-10,18,24H,7-8,11-14H2,(H,23,28)
InChIKeyPKAKGHIHPPAZBR-UHFFFAOYSA-N
XLogP1.71
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
4-cyclohexyl-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]benzamide
CID 52685874
6-chloro-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55845607
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
CID 70751779
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55846777
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 55847017) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is PKAKGHIHPPAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c26-20-11-12-21(27)25(20)14-16-1-5-17(6-2-16)22(28)23-13-15-3-9-19(10-4-15)31(29,30)24-18-7-8-18/h1-6,9-10,18,24H,7-8,11-14H2,(H,23,28).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 441.51 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55847017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).