[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C16H20N2O5S — CID 8999499

IUPAC[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O5S/c1-11(23-15(19)9-12-5-2-3-6-12)16(20)18-13-7-4-8-14(10-13)24(17,21)22/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,18,20)(H2,17,21,22)/t11-,12-/m0/s1
InChIKeyVHRAHGYAPXQQKM-RYUDHWBXSA-N
MW352.41 g/mol
LogP1.56
Rot. Bonds6

About [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 8999499) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID8999499
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O5S/c1-11(23-15(19)9-12-5-2-3-6-12)16(20)18-13-7-4-8-14(10-13)24(17,21)22/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,18,20)(H2,17,21,22)/t11-,12-/m0/s1
InChIKeyVHRAHGYAPXQQKM-RYUDHWBXSA-N
XLogP1.56
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066053
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065898
[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065896
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999464
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065430
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 8999485
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066003
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8999472
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065487
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 8970855
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
CID 55416915
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449590

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 8999499) is [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is VHRAHGYAPXQQKM-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11(23-15(19)9-12-5-2-3-6-12)16(20)18-13-7-4-8-14(10-13)24(17,21)22/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,18,20)(H2,17,21,22)/t11-,12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 352.41 g/mol, XLogP of 1.56, 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-(3-sulfamoylanilino)propan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 8999499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).