[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate

C19H26N2O5S — CID 9065487

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C19H26N2O5S/c1-3-21(4-2)27(24,25)17-11-7-10-16(13-17)20-18(22)14-26-19(23)12-15-8-5-6-9-15/h5,7-8,10-11,13,15H,3-4,6,9,12,14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyVAKVQKRCFPPDAM-OAHLLOKOSA-N
MW394.49 g/mol
LogP2.56
Rot. Bonds9

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065487) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
PubChem CID9065487
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@@H]2C=CCC2)c1
InChIInChI=1S/C19H26N2O5S/c1-3-21(4-2)27(24,25)17-11-7-10-16(13-17)20-18(22)14-26-19(23)12-15-8-5-6-9-15/h5,7-8,10-11,13,15H,3-4,6,9,12,14H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyVAKVQKRCFPPDAM-OAHLLOKOSA-N
XLogP2.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065430
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065712
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065405
[2-(4-chloroanilino)-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065493
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999499
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065686

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate (CID 9065487) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@@H]2C=CCC2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The InChIKey is VAKVQKRCFPPDAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-21(4-2)27(24,25)17-11-7-10-16(13-17)20-18(22)14-26-19(23)12-15-8-5-6-9-15/h5,7-8,10-11,13,15H,3-4,6,9,12,14H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate has a molecular weight of 394.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).