N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide

C14H20N2O2S — CID 62053546

IUPACN,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
SMILESCSc1ccc(C(=O)CN(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O2S/c1-15(2)14(18)10-16(3)9-13(17)11-5-7-12(19-4)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyIDKCMSAJLDTZFP-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.61
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide

N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide (PubChem CID 62053546) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
PubChem CID62053546
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide
SMILESCSc1ccc(C(=O)CN(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H20N2O2S/c1-15(2)14(18)10-16(3)9-13(17)11-5-7-12(19-4)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyIDKCMSAJLDTZFP-UHFFFAOYSA-N
XLogP1.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
2-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 60914564
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 55010640
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
2-[ethyl(2-methylpropyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43795913
3-(4-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79214701
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
CID 63567726
N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62034848
2-[cyclopentyl(ethyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 43796358
4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
CID 86219757
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-one
CID 18183658
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78816760

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide (CID 62053546) is N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide is CSc1ccc(C(=O)CN(C)CC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide?
The InChIKey is IDKCMSAJLDTZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15(2)14(18)10-16(3)9-13(17)11-5-7-12(19-4)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide?
N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62053546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).