(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide

C23H24N2O5S — CID 100784435

IUPAC(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O5S/c1-29-19-12-8-17(9-13-19)22(25-31(2,27)28)16-23(26)24-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-15,22,25H,16H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyCPBRSJPEFOEIGE-JOCHJYFZSA-N
MW440.52 g/mol
LogP4.11
Rot. Bonds9

About (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide

(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 100784435) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
PubChem CID100784435
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H24N2O5S/c1-29-19-12-8-17(9-13-19)22(25-31(2,27)28)16-23(26)24-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-15,22,25H,16H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyCPBRSJPEFOEIGE-JOCHJYFZSA-N
XLogP4.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784326
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100784306
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
N-[4-(1-cyanocyclopropyl)phenyl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255378
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide (CID 100784435) is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is CPBRSJPEFOEIGE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-19-12-8-17(9-13-19)22(25-31(2,27)28)16-23(26)24-18-10-14-21(15-11-18)30-20-6-4-3-5-7-20/h3-15,22,25H,16H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide?
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 440.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 100784435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).