3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide

C18H20N2O3S — CID 167892845

IUPAC3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide
SMILESCOc1ccc(Sc2ccc(NC(=O)CCNC(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(21)19-12-11-18(22)20-14-3-7-16(8-4-14)24-17-9-5-15(23-2)6-10-17/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZQPHTQCFKZEILB-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.31
Rot. Bonds7

About 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide

3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide (PubChem CID 167892845) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide
PubChem CID167892845
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide
SMILESCOc1ccc(Sc2ccc(NC(=O)CCNC(C)=O)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(21)19-12-11-18(22)20-14-3-7-16(8-4-14)24-17-9-5-15(23-2)6-10-17/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZQPHTQCFKZEILB-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-acetamido-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 2117866
3-acetamido-N-phenylpropanamide
CID 7946185
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 7925162
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate
CID 4083668
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
CID 26584930

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide (CID 167892845) is 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide is COc1ccc(Sc2ccc(NC(=O)CCNC(C)=O)cc2)cc1.
What is the InChIKey of 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide?
The InChIKey is ZQPHTQCFKZEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(21)19-12-11-18(22)20-14-3-7-16(8-4-14)24-17-9-5-15(23-2)6-10-17/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide?
3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide is sourced from PubChem (CID 167892845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).