2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide

C19H25N3O2S — CID 75177987

IUPAC2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide
SMILESCC(C)N(C(Cc1ccccc1)=NS(=O)(=O)c1ccccn1)C(C)C
InChIInChI=1S/C19H25N3O2S/c1-15(2)22(16(3)4)18(14-17-10-6-5-7-11-17)21-25(23,24)19-12-8-9-13-20-19/h5-13,15-16H,14H2,1-4H3
InChIKeyCGVXUVQUBMQIND-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.53
Rot. Bonds6

About 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide

2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide (PubChem CID 75177987) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide.

Molecular Properties

Compound Name2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide
PubChem CID75177987
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide
SMILESCC(C)N(C(Cc1ccccc1)=NS(=O)(=O)c1ccccn1)C(C)C
InChIInChI=1S/C19H25N3O2S/c1-15(2)22(16(3)4)18(14-17-10-6-5-7-11-17)21-25(23,24)19-12-8-9-13-20-19/h5-13,15-16H,14H2,1-4H3
InChIKeyCGVXUVQUBMQIND-UHFFFAOYSA-N
XLogP3.53
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide?
The IUPAC name of 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide (CID 75177987) is 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide.
What is the SMILES notation for 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide?
The canonical SMILES for 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide is CC(C)N(C(Cc1ccccc1)=NS(=O)(=O)c1ccccn1)C(C)C.
What is the InChIKey of 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide?
The InChIKey is CGVXUVQUBMQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15(2)22(16(3)4)18(14-17-10-6-5-7-11-17)21-25(23,24)19-12-8-9-13-20-19/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide?
2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide has a molecular weight of 359.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-di(propan-2-yl)-N'-pyridin-2-ylsulfonylethanimidamide is sourced from PubChem (CID 75177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).