N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide

C17H19NO2S — CID 15453821

IUPACN-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-3-5-17(19)18-13-8-10-15(11-9-13)21-16-7-4-6-14(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
InChIKeyRTALXWKIMYGOCP-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.59
Rot. Bonds6

About N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide

N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide (PubChem CID 15453821) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide
PubChem CID15453821
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-3-5-17(19)18-13-8-10-15(11-9-13)21-16-7-4-6-14(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19)
InChIKeyRTALXWKIMYGOCP-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
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2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-[4-(3-Methoxy-benzenesulfonyl)-phenyl]-butyramide
CID 9797715
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
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N-(4-Methoxy-phenyl)-2-p-tolylsulfanyl-acetamide
CID 788761

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide?
The IUPAC name of N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide (CID 15453821) is N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide is CCCC(=O)Nc1ccc(Sc2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide?
The InChIKey is RTALXWKIMYGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-5-17(19)18-13-8-10-15(11-9-13)21-16-7-4-6-14(12-16)20-2/h4,6-12H,3,5H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide?
N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide has a molecular weight of 301.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)sulfanylphenyl]butanamide is sourced from PubChem (CID 15453821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).