N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

C18H21NO3S — CID 33101027

IUPACN-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOCc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO3S/c1-21-13-14-4-3-5-15(12-14)19-18(20)10-11-23-17-8-6-16(22-2)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyGYJACNKISMDVFC-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.96
Rot. Bonds8

About N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide

N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 33101027) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID33101027
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOCc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO3S/c1-21-13-14-4-3-5-15(12-14)19-18(20)10-11-23-17-8-6-16(22-2)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,19,20)
InChIKeyGYJACNKISMDVFC-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240605
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-[3-[3-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]phenyl]propanoic acid
CID 120613867
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
CID 119438401
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
3-(4-methoxyphenyl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 29283119
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide (CID 33101027) is N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is COCc1cccc(NC(=O)CCSc2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is GYJACNKISMDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-13-14-4-3-5-15(12-14)19-18(20)10-11-23-17-8-6-16(22-2)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 33101027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).