N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide

C17H28N2O4S — CID 110621812

IUPACN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
SMILESCCN(CC)C(CNC(=O)CCS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-19(6-2)16(14-7-9-15(23-3)10-8-14)13-18-17(20)11-12-24(4,21)22/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyQBGJTYXJAHHKII-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.63
Rot. Bonds10

About N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide

N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide (PubChem CID 110621812) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
PubChem CID110621812
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
SMILESCCN(CC)C(CNC(=O)CCS(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-19(6-2)16(14-7-9-15(23-3)10-8-14)13-18-17(20)11-12-24(4,21)22/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20)
InChIKeyQBGJTYXJAHHKII-UHFFFAOYSA-N
XLogP1.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 112503668
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397
N-[3-(4-methoxyphenyl)propyl]-3-methylsulfonylpropanamide
CID 110627872
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302652
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 112503701
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057068
N-[2-(diethylamino)-2-phenylethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46543061
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide (CID 110621812) is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide is CCN(CC)C(CNC(=O)CCS(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide?
The InChIKey is QBGJTYXJAHHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-19(6-2)16(14-7-9-15(23-3)10-8-14)13-18-17(20)11-12-24(4,21)22/h7-10,16H,5-6,11-13H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide?
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide has a molecular weight of 356.49 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110621812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).