N-benzyl-3-benzylsulfinamoylpropanamide

C17H20N2O2S — CID 2246003

IUPACN-benzyl-3-benzylsulfinamoylpropanamide
SMILESO=C(CCS(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-17(18-13-15-7-3-1-4-8-15)11-12-22(21)19-14-16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,18,20)
InChIKeyFXVDNSCJHGVWIZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.15
Rot. Bonds8

About N-benzyl-3-benzylsulfinamoylpropanamide

N-benzyl-3-benzylsulfinamoylpropanamide (PubChem CID 2246003) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-benzyl-3-benzylsulfinamoylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-benzylsulfinamoylpropanamide
PubChem CID2246003
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-benzyl-3-benzylsulfinamoylpropanamide
SMILESO=C(CCS(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2O2S/c20-17(18-13-15-7-3-1-4-8-15)11-12-22(21)19-14-16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,18,20)
InChIKeyFXVDNSCJHGVWIZ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-benzylsulfinamoylpropanamide?
The IUPAC name of N-benzyl-3-benzylsulfinamoylpropanamide (CID 2246003) is N-benzyl-3-benzylsulfinamoylpropanamide.
What is the SMILES notation for N-benzyl-3-benzylsulfinamoylpropanamide?
The canonical SMILES for N-benzyl-3-benzylsulfinamoylpropanamide is O=C(CCS(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-benzylsulfinamoylpropanamide?
The InChIKey is FXVDNSCJHGVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(18-13-15-7-3-1-4-8-15)11-12-22(21)19-14-16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,18,20).
What are the key properties of N-benzyl-3-benzylsulfinamoylpropanamide?
N-benzyl-3-benzylsulfinamoylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-benzylsulfinamoylpropanamide is sourced from PubChem (CID 2246003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).