N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C20H20N2OS2 — CID 42891190

IUPACN-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C20H20N2OS2/c1-15(16-6-4-3-5-7-16)22(2)20(23)17-8-10-19(11-9-17)25-13-18-12-24-14-21-18/h3-12,14-15H,13H2,1-2H3
InChIKeyWUZXUWLXCMZXDI-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.27
Rot. Bonds6

About N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 42891190) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID42891190
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C20H20N2OS2/c1-15(16-6-4-3-5-7-16)22(2)20(23)17-8-10-19(11-9-17)25-13-18-12-24-14-21-18/h3-12,14-15H,13H2,1-2H3
InChIKeyWUZXUWLXCMZXDI-UHFFFAOYSA-N
XLogP5.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 42891190) is N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CC(c1ccccc1)N(C)C(=O)c1ccc(SCc2cscn2)cc1.
What is the InChIKey of N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is WUZXUWLXCMZXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-15(16-6-4-3-5-7-16)22(2)20(23)17-8-10-19(11-9-17)25-13-18-12-24-14-21-18/h3-12,14-15H,13H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 368.53 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 42891190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).