N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide

C17H18ClNO2S — CID 41086497

IUPACN-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
SMILESCOc1ccc(SCCCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-15-8-10-16(11-9-15)22-12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyRUWCIBKVUMXCAN-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds7

About N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide

N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide (PubChem CID 41086497) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
PubChem CID41086497
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
SMILESCOc1ccc(SCCCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-21-15-8-10-16(11-9-15)22-12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20)
InChIKeyRUWCIBKVUMXCAN-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 9438269
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
4-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)butanamide
CID 60549417
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
4-(4-chlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 16917950
4-(4-chlorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82726194
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide (CID 41086497) is N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide is COc1ccc(SCCCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide?
The InChIKey is RUWCIBKVUMXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-15-8-10-16(11-9-15)22-12-2-3-17(20)19-14-6-4-13(18)5-7-14/h4-11H,2-3,12H2,1H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide?
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide has a molecular weight of 335.86 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide is sourced from PubChem (CID 41086497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).