3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide

C20H27N3O6S — CID 56558795

IUPAC3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H27N3O6S/c1-29-16-8-7-14(13-17(16)30(27,28)22-15-5-2-3-6-15)20(26)21-11-4-12-23-18(24)9-10-19(23)25/h7-8,13,15,22H,2-6,9-12H2,1H3,(H,21,26)
InChIKeyGKWXQDDEYDUFJK-UHFFFAOYSA-N
MW437.52 g/mol
LogP1.18
Rot. Bonds9

About 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide (PubChem CID 56558795) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
PubChem CID56558795
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H27N3O6S/c1-29-16-8-7-14(13-17(16)30(27,28)22-15-5-2-3-6-15)20(26)21-11-4-12-23-18(24)9-10-19(23)25/h7-8,13,15,22H,2-6,9-12H2,1H3,(H,21,26)
InChIKeyGKWXQDDEYDUFJK-UHFFFAOYSA-N
XLogP1.18
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
3-(cyclopropylsulfamoyl)-4-methoxy-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976665
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 46424901
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide (CID 56558795) is 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide?
The InChIKey is GKWXQDDEYDUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-29-16-8-7-14(13-17(16)30(27,28)22-15-5-2-3-6-15)20(26)21-11-4-12-23-18(24)9-10-19(23)25/h7-8,13,15,22H,2-6,9-12H2,1H3,(H,21,26).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide has a molecular weight of 437.52 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 56558795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).