N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide

C18H20N2O2S — CID 46568360

IUPACN-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O2S/c1-3-17(21)19-14-5-4-6-15(11-14)20-18(22)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFMCYLEKLXUJSKJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.07
Rot. Bonds6

About N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide

N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide (PubChem CID 46568360) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
PubChem CID46568360
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O2S/c1-3-17(21)19-14-5-4-6-15(11-14)20-18(22)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFMCYLEKLXUJSKJ-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 9228238
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
3-[[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241173

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide (CID 46568360) is N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide?
The InChIKey is FMCYLEKLXUJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-17(21)19-14-5-4-6-15(11-14)20-18(22)12-23-16-9-7-13(2)8-10-16/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide?
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide is sourced from PubChem (CID 46568360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).