1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane

C26H30N2O2S — CID 158830840

About 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane

1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane (PubChem CID 158830840) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane.

Molecular Properties

• Compound Name: 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
• PubChem CID: 158830840
• Molecular Formula: C26H30N2O2S
• Molecular Weight: 434.61 g/mol
• Exact Mass: 434.20
• IUPAC Name: 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
• SMILES: O=C1C=Cc2cc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)ccc2C1.S
• InChI: InChI=1S/C26H28N2O2.H2S/c29-23-11-9-20-16-22(10-8-21(20)17-23)26(12-13-26)25(30)27-24(18-28-14-4-5-15-28)19-6-2-1-3-7-19;/h1-3,6-11,16,24H,4-5,12-15,17-18H2,(H,27,30);1H2/t24-;/m1./s1
• InChIKey: IXAHWBCUQNXYOV-GJFSDDNBSA-N
• XLogP: 3.92
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.61
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane?

The IUPAC name of 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane (CID 158830840) is 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane.

What is the SMILES notation for 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane?

The canonical SMILES for 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane is O=C1C=Cc2cc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)ccc2C1.S.

What is the InChIKey of 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane?

The InChIKey is IXAHWBCUQNXYOV-GJFSDDNBSA-N. The full InChI is InChI=1S/C26H28N2O2.H2S/c29-23-11-9-20-16-22(10-8-21(20)17-23)26(12-13-26)25(30)27-24(18-28-14-4-5-15-28)19-6-2-1-3-7-19;/h1-3,6-11,16,24H,4-5,12-15,17-18H2,(H,27,30);1H2/t24-;/m1./s1.

What are the key properties of 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane?

1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane has a molecular weight of 434.61 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-oxo-5H-naphthalen-2-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane is sourced from PubChem (CID 158830840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).