[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate

C21H24N2O5S — CID 9440930

IUPAC[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
SMILESC[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(19(24)23-17-9-11-18(12-10-17)29(22,26)27)28-20(25)21(13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24)(H2,22,26,27)/t15-/m0/s1
InChIKeyUCEZBDBNRYVJPN-HNNXBMFYSA-N
MW416.50 g/mol
LogP2.72
Rot. Bonds6

About [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 9440930) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
PubChem CID9440930
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
SMILESC[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(19(24)23-17-9-11-18(12-10-17)29(22,26)27)28-20(25)21(13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24)(H2,22,26,27)/t15-/m0/s1
InChIKeyUCEZBDBNRYVJPN-HNNXBMFYSA-N
XLogP2.72
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528445
[(2S)-1-anilino-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 40651443
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2358022
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
CID 16504393
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
trans-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020391
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate
CID 8627794
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
CID 2570849
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
CID 7790407

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate (CID 9440930) is [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate is C[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is UCEZBDBNRYVJPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15(19(24)23-17-9-11-18(12-10-17)29(22,26)27)28-20(25)21(13-5-6-14-21)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,23,24)(H2,22,26,27)/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate?
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 416.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 9440930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).