N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide

C19H22N2O3S — CID 78810123

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-14(2)16(11-13)24-10-9-19(23)21-15-5-3-4-6-17(15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyYMKWRMQOTXRXFV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.29
Rot. Bonds8

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 78810123) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
PubChem CID78810123
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCCC(=O)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C19H22N2O3S/c1-13-7-8-14(2)16(11-13)24-10-9-19(23)21-15-5-3-4-6-17(15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyYMKWRMQOTXRXFV-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 4803683
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
[3-(2-cyanoanilino)-3-oxopropyl] 3-(2,5-dimethylphenoxy)propanoate
CID 18267761
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide (CID 78810123) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OCCC(=O)Nc2ccccc2SCC(N)=O)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is YMKWRMQOTXRXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-7-8-14(2)16(11-13)24-10-9-19(23)21-15-5-3-4-6-17(15)25-12-18(20)22/h3-8,11H,9-10,12H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 78810123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).