N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide

C21H29N3O3S — CID 86934936

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)16-19-12-7-6-11-18(19)15-22-21(25)14-17-10-8-9-13-20(17)23-28(3,26)27/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25)
InChIKeyWQVDGSLBSRDEOB-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.76
Rot. Bonds10

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86934936) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86934936
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C21H29N3O3S/c1-4-24(5-2)16-19-12-7-6-11-18(19)15-22-21(25)14-17-10-8-9-13-20(17)23-28(3,26)27/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25)
InChIKeyWQVDGSLBSRDEOB-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 134022151
3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
CID 43715678
2-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 43362203
1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
CID 112573513
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
2-(5-amino-2-pyridinyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 120640465

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86934936) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide is CCN(CC)Cc1ccccc1CNC(=O)Cc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is WQVDGSLBSRDEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-24(5-2)16-19-12-7-6-11-18(19)15-22-21(25)14-17-10-8-9-13-20(17)23-28(3,26)27/h6-13,23H,4-5,14-16H2,1-3H3,(H,22,25).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 403.55 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86934936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).