(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C25H28N2O4S — CID 100784499

IUPAC(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(Cc2ccccc2)Cc2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O4S/c1-31-23-15-13-22(14-16-23)24(26-32(2,29)30)17-25(28)27(18-20-9-5-3-6-10-20)19-21-11-7-4-8-12-21/h3-16,24,26H,17-19H2,1-2H3/t24-/m1/s1
InChIKeyYEMHLVPDOVAIFR-XMMPIXPASA-N
MW452.58 g/mol
LogP3.90
Rot. Bonds10

About (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784499) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784499
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)N(Cc2ccccc2)Cc2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O4S/c1-31-23-15-13-22(14-16-23)24(26-32(2,29)30)17-25(28)27(18-20-9-5-3-6-10-20)19-21-11-7-4-8-12-21/h3-16,24,26H,17-19H2,1-2H3/t24-/m1/s1
InChIKeyYEMHLVPDOVAIFR-XMMPIXPASA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 100784037
(3R)-N-[(2R)-butan-2-yl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784235
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784499) is (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)N(Cc2ccccc2)Cc2ccccc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is YEMHLVPDOVAIFR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-31-23-15-13-22(14-16-23)24(26-32(2,29)30)17-25(28)27(18-20-9-5-3-6-10-20)19-21-11-7-4-8-12-21/h3-16,24,26H,17-19H2,1-2H3/t24-/m1/s1.
What are the key properties of (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 452.58 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).