N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C18H25N3O5S — CID 108571762

IUPACN-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O
InChIInChI=1S/C18H25N3O5S/c1-4-5-10-27(25,26)20-9-8-19-16(22)13-6-7-14-15(11-13)18(24)21(12(2)3)17(14)23/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,22)
InChIKeyMZVKQKARLYDJLM-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.14
Rot. Bonds9

About N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 108571762) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
PubChem CID108571762
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O
InChIInChI=1S/C18H25N3O5S/c1-4-5-10-27(25,26)20-9-8-19-16(22)13-6-7-14-15(11-13)18(24)21(12(2)3)17(14)23/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,22)
InChIKeyMZVKQKARLYDJLM-UHFFFAOYSA-N
XLogP1.14
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571800
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108537808
N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540233
N-[2-[(2-methylbenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540227
N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
phenyl N-[2-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571775
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108538038
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540184
N-[2-(butylsulfonylamino)ethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 108574053
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 108571762) is N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is CCCCS(=O)(=O)NCCNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The InChIKey is MZVKQKARLYDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-4-5-10-27(25,26)20-9-8-19-16(22)13-6-7-14-15(11-13)18(24)21(12(2)3)17(14)23/h6-7,11-12,20H,4-5,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 108571762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).