[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C21H23ClN2O5S — CID 16528445

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCC(OC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H23ClN2O5S/c1-14(19(25)24-17-8-10-18(11-9-17)30(23,27)28)29-20(26)21(12-2-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,2-3,12-13H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFVRUMQFIEPNAOR-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.37
Rot. Bonds6

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 16528445) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID16528445
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCC(OC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H23ClN2O5S/c1-14(19(25)24-17-8-10-18(11-9-17)30(23,27)28)29-20(26)21(12-2-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,2-3,12-13H2,1H3,(H,24,25)(H2,23,27,28)
InChIKeyFVRUMQFIEPNAOR-UHFFFAOYSA-N
XLogP3.37
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2358022
[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16575515
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42898298
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
trans-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020391
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 2637600
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574804
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574634

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 16528445) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CC(OC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is FVRUMQFIEPNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c1-14(19(25)24-17-8-10-18(11-9-17)30(23,27)28)29-20(26)21(12-2-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,2-3,12-13H2,1H3,(H,24,25)(H2,23,27,28).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 450.94 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 16528445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).