N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide

C19H22N2O3S — CID 32941425

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-20-18(22)12-24-15-8-6-14(7-9-15)21-19(23)17-11-16(25-3)10-5-13(17)2/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLFNBEBUVDRCVGC-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.48
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 32941425) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID32941425
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(SC)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-4-20-18(22)12-24-15-8-6-14(7-9-15)21-19(23)17-11-16(25-3)10-5-13(17)2/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLFNBEBUVDRCVGC-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-4-methylbenzamide
CID 38497709
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
5-bromo-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxybenzamide
CID 32938270
4-(difluoromethylsulfanyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 32940874
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-3-nitrobenzamide
CID 32938409

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide (CID 32941425) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide is CCNC(=O)COc1ccc(NC(=O)c2cc(SC)ccc2C)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is LFNBEBUVDRCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-20-18(22)12-24-15-8-6-14(7-9-15)21-19(23)17-11-16(25-3)10-5-13(17)2/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 32941425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).