ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol

C48H73N5O9S — CID 142895088

About ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol

ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol (PubChem CID 142895088) has the molecular formula C48H73N5O9S and a molecular weight of 896.20 g/mol. Its IUPAC name is ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol.

Molecular Properties

• Compound Name: ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol
• PubChem CID: 142895088
• Molecular Formula: C48H73N5O9S
• Molecular Weight: 896.20 g/mol
• Exact Mass: 895.51
• IUPAC Name: ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol
• SMILES: C=C.C=CC1C[C@]1(NC=O)C(=O)NS(=O)(=O)C1(C)CC1.CC.CC.CC(C)(C)O.COc1ccc2c(OC3CCN(C(=O)[C@@H](NC=O)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1
• InChI: InChI=1S/C27H31N3O4.C11H16N2O4S.C4H10O.2C2H6.C2H4/c1-27(2,3)25(28-17-31)26(32)30-13-12-20(16-30)34-24-15-22(18-8-6-5-7-9-18)29-23-14-19(33-4)10-11-21(23)24;1-3-8-6-11(8,12-7-14)9(15)13-18(16,17)10(2)4-5-10;1-4(2,3)5;3*1-2/h5-11,14-15,17,20,25H,12-13,16H2,1-4H3,(H,28,31);3,7-8H,1,4-6H2,2H3,(H,12,14)(H,13,15);5H,1-3H3;2*1-2H3;1-2H2/t20?,25-;8?,11-;;;;/m11..../s1
• InChIKey: STLWZWKDHQTDRS-CBMNTJQPSA-N
• XLogP: 7.36
• TPSA: 193.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.20
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol?

The IUPAC name of ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol (CID 142895088) is ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol.

What is the SMILES notation for ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol?

The canonical SMILES for ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol is C=C.C=CC1C[C@]1(NC=O)C(=O)NS(=O)(=O)C1(C)CC1.CC.CC.CC(C)(C)O.COc1ccc2c(OC3CCN(C(=O)[C@@H](NC=O)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1.

What is the InChIKey of ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol?

The InChIKey is STLWZWKDHQTDRS-CBMNTJQPSA-N. The full InChI is InChI=1S/C27H31N3O4.C11H16N2O4S.C4H10O.2C2H6.C2H4/c1-27(2,3)25(28-17-31)26(32)30-13-12-20(16-30)34-24-15-22(18-8-6-5-7-9-18)29-23-14-19(33-4)10-11-21(23)24;1-3-8-6-11(8,12-7-14)9(15)13-18(16,17)10(2)4-5-10;1-4(2,3)5;3*1-2/h5-11,14-15,17,20,25H,12-13,16H2,1-4H3,(H,28,31);3,7-8H,1,4-6H2,2H3,(H,12,14)(H,13,15);5H,1-3H3;2*1-2H3;1-2H2/t20?,25-;8?,11-;;;;/m11..../s1.

What are the key properties of ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol?

ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol has a molecular weight of 896.20 g/mol, XLogP of 7.36, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethene;(1R)-2-ethenyl-1-formamido-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;N-[(2S)-1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]formamide;2-methylpropan-2-ol is sourced from PubChem (CID 142895088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).