N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C20H20ClN3O5S — CID 108574022

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5S/c21-14-7-9-15(10-8-14)30(28,29)23-12-11-22-18(25)6-3-13-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,22,25)
InChIKeyBEZQFABPRGESHO-UHFFFAOYSA-N
MW449.92 g/mol
LogP1.81
Rot. Bonds9

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 108574022) has the molecular formula C20H20ClN3O5S and a molecular weight of 449.92 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID108574022
Molecular FormulaC20H20ClN3O5S
Molecular Weight449.92 g/mol
Exact Mass449.08
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O5S/c21-14-7-9-15(10-8-14)30(28,29)23-12-11-22-18(25)6-3-13-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,22,25)
InChIKeyBEZQFABPRGESHO-UHFFFAOYSA-N
XLogP1.81
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 51.81
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-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108572147
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 108574022) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is BEZQFABPRGESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S/c21-14-7-9-15(10-8-14)30(28,29)23-12-11-22-18(25)6-3-13-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,22,25).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 449.92 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 108574022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).