(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide

C26H29NOS — CID 164674802

IUPAC(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide
SMILESCCCS[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOS/c1-2-18-29-25(24-16-10-5-11-17-24)19-26(28)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3/t25-/m1/s1
InChIKeyYLBSGHIHCFWJCP-RUZDIDTESA-N
MW403.59 g/mol
LogP6.49
Rot. Bonds10

About (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide

(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide (PubChem CID 164674802) has the molecular formula C26H29NOS and a molecular weight of 403.59 g/mol. Its IUPAC name is (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide.

Molecular Properties

Compound Name(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide
PubChem CID164674802
Molecular FormulaC26H29NOS
Molecular Weight403.59 g/mol
Exact Mass403.20
IUPAC Name(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide
SMILESCCCS[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NOS/c1-2-18-29-25(24-16-10-5-11-17-24)19-26(28)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3/t25-/m1/s1
InChIKeyYLBSGHIHCFWJCP-RUZDIDTESA-N
XLogP6.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
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CID 692800
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-benzyl-N-tert-butyl-3-phenylpropanamide
CID 1319993
N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
CID 2175268
N-benzyl-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 24237830

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide?
The IUPAC name of (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide (CID 164674802) is (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide.
What is the SMILES notation for (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide?
The canonical SMILES for (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide is CCCS[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide?
The InChIKey is YLBSGHIHCFWJCP-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29NOS/c1-2-18-29-25(24-16-10-5-11-17-24)19-26(28)27(20-22-12-6-3-7-13-22)21-23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3/t25-/m1/s1.
What are the key properties of (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide?
(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide has a molecular weight of 403.59 g/mol, XLogP of 6.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide is sourced from PubChem (CID 164674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).