cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide

C17H20N2O4S — CID 59009627

IUPACcis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccc2c1NC(=O)C2)C(C)C
InChIInChI=1S/C17H20N2O4S/c1-4-12-9-17(12,10(2)3)16(21)19-24(22,23)13-7-5-6-11-8-14(20)18-15(11)13/h4-7,10,12H,1,8-9H2,2-3H3,(H,18,20)(H,19,21)/t12-,17-/m1/s1
InChIKeyTVEAVGSULALOKZ-SJKOYZFVSA-N
MW348.42 g/mol
LogP1.83
Rot. Bonds5

About cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide

cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 59009627) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID59009627
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namecis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccc2c1NC(=O)C2)C(C)C
InChIInChI=1S/C17H20N2O4S/c1-4-12-9-17(12,10(2)3)16(21)19-24(22,23)13-7-5-6-11-8-14(20)18-15(11)13/h4-7,10,12H,1,8-9H2,2-3H3,(H,18,20)(H,19,21)/t12-,17-/m1/s1
InChIKeyTVEAVGSULALOKZ-SJKOYZFVSA-N
XLogP1.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 59009627) is cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1cccc2c1NC(=O)C2)C(C)C.
What is the InChIKey of cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is TVEAVGSULALOKZ-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-12-9-17(12,10(2)3)16(21)19-24(22,23)13-7-5-6-11-8-14(20)18-15(11)13/h4-7,10,12H,1,8-9H2,2-3H3,(H,18,20)(H,19,21)/t12-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 59009627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).