N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide

C15H24N2O3S — CID 115576547

IUPACN,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-17(6-2)15(18)11-16-12(3)13-7-9-14(10-8-13)21(4,19)20/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyQCQBADUVCMPOSF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.61
Rot. Bonds7

About N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide

N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide (PubChem CID 115576547) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
PubChem CID115576547
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-17(6-2)15(18)11-16-12(3)13-7-9-14(10-8-13)21(4,19)20/h7-10,12,16H,5-6,11H2,1-4H3
InChIKeyQCQBADUVCMPOSF-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115724383
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylacetamide
CID 8650299
ethyl 2-[1-(4-methylsulfonylphenyl)ethylamino]propanoate
CID 61498386
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-phenylacetamide
CID 8643844
2-(1-phenylethylamino)-N,N-dipropylacetamide
CID 54815250
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8650517
2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
CID 175563500
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide (CID 115576547) is N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide is CCN(CC)C(=O)CNC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
The InChIKey is QCQBADUVCMPOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-17(6-2)15(18)11-16-12(3)13-7-9-14(10-8-13)21(4,19)20/h7-10,12,16H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide?
N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115576547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).