N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C22H24N2OS2 — CID 55504060

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccccc2SCc2csc(C)n2)cc1
InChIInChI=1S/C22H24N2OS2/c1-4-17-9-11-18(12-10-17)13-24(3)22(25)20-7-5-6-8-21(20)27-15-19-14-26-16(2)23-19/h5-12,14H,4,13,15H2,1-3H3
InChIKeyMOSGGELZUHRIBI-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.58
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 55504060) has the molecular formula C22H24N2OS2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID55504060
Molecular FormulaC22H24N2OS2
Molecular Weight396.58 g/mol
Exact Mass396.13
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCc1ccc(CN(C)C(=O)c2ccccc2SCc2csc(C)n2)cc1
InChIInChI=1S/C22H24N2OS2/c1-4-17-9-11-18(12-10-17)13-24(3)22(25)20-7-5-6-8-21(20)27-15-19-14-26-16(2)23-19/h5-12,14H,4,13,15H2,1-3H3
InChIKeyMOSGGELZUHRIBI-UHFFFAOYSA-N
XLogP5.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 55504060) is N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is CCc1ccc(CN(C)C(=O)c2ccccc2SCc2csc(C)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is MOSGGELZUHRIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS2/c1-4-17-9-11-18(12-10-17)13-24(3)22(25)20-7-5-6-8-21(20)27-15-19-14-26-16(2)23-19/h5-12,14H,4,13,15H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 396.58 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55504060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).