(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide

C18H22N2O4S — CID 100784113

IUPAC(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)c2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(15-7-5-4-6-8-15)18(21)13-17(19-25(3,22)23)14-9-11-16(24-2)12-10-14/h4-12,17,19H,13H2,1-3H3/t17-/m1/s1
InChIKeyPPZMGWMXUCOOMF-QGZVFWFLSA-N
MW362.45 g/mol
LogP2.34
Rot. Bonds7

About (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide

(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide (PubChem CID 100784113) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
PubChem CID100784113
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)N(C)c2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(15-7-5-4-6-8-15)18(21)13-17(19-25(3,22)23)14-9-11-16(24-2)12-10-14/h4-12,17,19H,13H2,1-3H3/t17-/m1/s1
InChIKeyPPZMGWMXUCOOMF-QGZVFWFLSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784499
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255458
N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
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
3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255242
(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
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide?
The IUPAC name of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide (CID 100784113) is (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide?
The canonical SMILES for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide is COc1ccc([C@@H](CC(=O)N(C)c2ccccc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide?
The InChIKey is PPZMGWMXUCOOMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(15-7-5-4-6-8-15)18(21)13-17(19-25(3,22)23)14-9-11-16(24-2)12-10-14/h4-12,17,19H,13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide?
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 100784113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).