N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C23H27N3OS2 — CID 46548406

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1
InChIInChI=1S/C23H27N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)14-24-23(27)20-12-8-9-13-22(20)29-16-19-15-28-17-25-19/h5-13,15,17,21H,3-4,14,16H2,1-2H3,(H,24,27)
InChIKeyGBCKAEXWFOFDBZ-UHFFFAOYSA-N
MW425.62 g/mol
LogP5.25
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 46548406) has the molecular formula C23H27N3OS2 and a molecular weight of 425.62 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID46548406
Molecular FormulaC23H27N3OS2
Molecular Weight425.62 g/mol
Exact Mass425.16
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1
InChIInChI=1S/C23H27N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)14-24-23(27)20-12-8-9-13-22(20)29-16-19-15-28-17-25-19/h5-13,15,17,21H,3-4,14,16H2,1-2H3,(H,24,27)
InChIKeyGBCKAEXWFOFDBZ-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylbenzamide
CID 18167069
N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 120946073

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 46548406) is N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CCN(CC)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is GBCKAEXWFOFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS2/c1-3-26(4-2)21(18-10-6-5-7-11-18)14-24-23(27)20-12-8-9-13-22(20)29-16-19-15-28-17-25-19/h5-13,15,17,21H,3-4,14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 425.62 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 46548406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).