N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide

C20H24N2O3S — CID 2246004

IUPACN-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide
SMILESO=C(CCS(=O)CCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-19(21-15-17-7-3-1-4-8-17)11-13-26(25)14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyFEHOXWKSESNGBT-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.15
Rot. Bonds10

About N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide

N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide (PubChem CID 2246004) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide
PubChem CID2246004
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide
SMILESO=C(CCS(=O)CCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-19(21-15-17-7-3-1-4-8-17)11-13-26(25)14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24)
InChIKeyFEHOXWKSESNGBT-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
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N-(2-phenylethyl)-2-(phenylthio)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide?
The IUPAC name of N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide (CID 2246004) is N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide.
What is the SMILES notation for N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide?
The canonical SMILES for N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide is O=C(CCS(=O)CCC(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide?
The InChIKey is FEHOXWKSESNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(21-15-17-7-3-1-4-8-17)11-13-26(25)14-12-20(24)22-16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide?
N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfinylpropanamide is sourced from PubChem (CID 2246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).