2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

C19H18N2O5S — CID 31011027

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N2O5S/c22-19(13-14-3-1-2-4-14)20-15-5-9-17(10-6-15)27(25,26)18-11-7-16(8-12-18)21(23)24/h1,3,5-12,14H,2,4,13H2,(H,20,22)/t14-/m0/s1
InChIKeyJXQWYRAFMRBBHO-AWEZNQCLSA-N
MW386.43 g/mol
LogP3.72
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide (PubChem CID 31011027) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
PubChem CID31011027
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N2O5S/c22-19(13-14-3-1-2-4-14)20-15-5-9-17(10-6-15)27(25,26)18-11-7-16(8-12-18)21(23)24/h1,3,5-12,14H,2,4,13H2,(H,20,22)/t14-/m0/s1
InChIKeyJXQWYRAFMRBBHO-AWEZNQCLSA-N
XLogP3.72
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46820855
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 9203754
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 37396123
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9208051
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide (CID 31011027) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide is O=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
The InChIKey is JXQWYRAFMRBBHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O5S/c22-19(13-14-3-1-2-4-14)20-15-5-9-17(10-6-15)27(25,26)18-11-7-16(8-12-18)21(23)24/h1,3,5-12,14H,2,4,13H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide has a molecular weight of 386.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 31011027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).