N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C15H24N2O4S — CID 133255458

IUPACN,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-17(6-2)15(18)11-14(16-22(4,19)20)12-7-9-13(21-3)10-8-12/h7-10,14,16H,5-6,11H2,1-4H3
InChIKeyZFXPYAOURIRIEO-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.54
Rot. Bonds8

About N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 133255458) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID133255458
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(NS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-17(6-2)15(18)11-14(16-22(4,19)20)12-7-9-13(21-3)10-8-12/h7-10,14,16H,5-6,11H2,1-4H3
InChIKeyZFXPYAOURIRIEO-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.54
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-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-methyl-N-phenylpropanamide
CID 100784113
(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
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)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 133255458) is N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is CCN(CC)C(=O)CC(NS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZFXPYAOURIRIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-17(6-2)15(18)11-14(16-22(4,19)20)12-7-9-13(21-3)10-8-12/h7-10,14,16H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 133255458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).