N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

C20H28N2O3S — CID 112503701

IUPACN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)20(18-11-13-19(25-3)14-12-18)15-21-26(23,24)16-17-9-7-6-8-10-17/h6-14,20-21H,4-5,15-16H2,1-3H3
InChIKeyBLDPMXCCLXBEDK-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.20
Rot. Bonds10

About N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 112503701) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID112503701
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H28N2O3S/c1-4-22(5-2)20(18-11-13-19(25-3)14-12-18)15-21-26(23,24)16-17-9-7-6-8-10-17/h6-14,20-21H,4-5,15-16H2,1-3H3
InChIKeyBLDPMXCCLXBEDK-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302652
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110621812
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(4-methoxyphenyl)thiourea
CID 8656989
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (CID 112503701) is N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is CCN(CC)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is BLDPMXCCLXBEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-4-22(5-2)20(18-11-13-19(25-3)14-12-18)15-21-26(23,24)16-17-9-7-6-8-10-17/h6-14,20-21H,4-5,15-16H2,1-3H3.
What are the key properties of N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 112503701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).