N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide

C18H19NO3S — CID 60593778

IUPACN-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-13(20)14-7-9-15(10-8-14)19-18(21)11-12-23-17-6-4-3-5-16(17)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyBTXPNRVITRSWHA-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.02
Rot. Bonds7

About N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide

N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 60593778) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID60593778
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-13(20)14-7-9-15(10-8-14)19-18(21)11-12-23-17-6-4-3-5-16(17)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyBTXPNRVITRSWHA-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
4-[3-(2-bromophenyl)sulfanylpropanoylamino]-N-(2-methoxyphenyl)benzamide
CID 55538942
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
CID 47449102
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 42963433
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064
N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 52546540

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide (CID 60593778) is N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1SCCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is BTXPNRVITRSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-13(20)14-7-9-15(10-8-14)19-18(21)11-12-23-17-6-4-3-5-16(17)22-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide?
N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 329.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 60593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).