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

C21H23N3OS2 — CID 47021185

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1
InChIInChI=1S/C21H23N3OS2/c1-24(2)19(16-8-4-3-5-9-16)12-22-21(25)18-10-6-7-11-20(18)27-14-17-13-26-15-23-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,25)
InChIKeyNHBBVLFAOPNVGJ-UHFFFAOYSA-N
MW397.57 g/mol
LogP4.47
Rot. Bonds8

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

N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 47021185) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID47021185
Molecular FormulaC21H23N3OS2
Molecular Weight397.57 g/mol
Exact Mass397.13
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1
InChIInChI=1S/C21H23N3OS2/c1-24(2)19(16-8-4-3-5-9-16)12-22-21(25)18-10-6-7-11-20(18)27-14-17-13-26-15-23-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,25)
InChIKeyNHBBVLFAOPNVGJ-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46548406
N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
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-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46456480
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 120946073
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide;dihydrochloride
CID 120946072
N-[2-(4-butoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55797013

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 47021185) is N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CN(C)C(CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is NHBBVLFAOPNVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS2/c1-24(2)19(16-8-4-3-5-9-16)12-22-21(25)18-10-6-7-11-20(18)27-14-17-13-26-15-23-17/h3-11,13,15,19H,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 397.57 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 47021185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).