N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

C18H21NO3S — CID 23973490

IUPACN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cc(NC(=O)CCSc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H21NO3S/c1-13-4-6-17(7-5-13)23-9-8-18(20)19-14-10-15(21-2)12-16(11-14)22-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyHQODJXJXGLQPLR-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.13
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 23973490) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID23973490
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1cc(NC(=O)CCSc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H21NO3S/c1-13-4-6-17(7-5-13)23-9-8-18(20)19-14-10-15(21-2)12-16(11-14)22-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyHQODJXJXGLQPLR-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
[2-(3-methoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 42962958
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 142489795
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140
N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide
CID 166336071
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 23973490) is N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is COc1cc(NC(=O)CCSc2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HQODJXJXGLQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13-4-6-17(7-5-13)23-9-8-18(20)19-14-10-15(21-2)12-16(11-14)22-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 23973490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).