N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide

C18H20ClNO3S — CID 21173333

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13(23-16-7-5-15(22-2)6-8-16)18(21)20-11-12-24-17-9-3-14(19)4-10-17/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyISTQPYSQUSVLFW-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.02
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 21173333) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID21173333
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13(23-16-7-5-15(22-2)6-8-16)18(21)20-11-12-24-17-9-3-14(19)4-10-17/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyISTQPYSQUSVLFW-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2711643
(2R)-2-phenoxy-N-(2-phenylsulfanylethyl)propanamide
CID 31790666
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191753
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide (CID 21173333) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NCCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is ISTQPYSQUSVLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13(23-16-7-5-15(22-2)6-8-16)18(21)20-11-12-24-17-9-3-14(19)4-10-17/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 365.88 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 21173333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).