N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide

C19H22N2O3S — CID 30860081

IUPACN,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-10-17(11-5-14)25-13-18(22)20-15-6-8-16(9-7-15)24-12-19(23)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyWOZOJHNETIXDSH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.19
Rot. Bonds7

About N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide

N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide (PubChem CID 30860081) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
PubChem CID30860081
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14-4-10-17(11-5-14)25-13-18(22)20-15-6-8-16(9-7-15)24-12-19(23)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyWOZOJHNETIXDSH-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3,3-dimethylbutanamide
CID 32943486
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-(3,4-dimethylphenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7456554
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
S-[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methylphenoxy)ethanethioate
CID 715548

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide (CID 30860081) is N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide is Cc1ccc(SCC(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide?
The InChIKey is WOZOJHNETIXDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-4-10-17(11-5-14)25-13-18(22)20-15-6-8-16(9-7-15)24-12-19(23)21(2)3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide?
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide is sourced from PubChem (CID 30860081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).