N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C20H21ClN2O2S2 — CID 46150334

IUPACN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccs1
InChIInChI=1S/C20H21ClN2O2S2/c1-14(2)10-23(20(24)18-4-3-9-26-18)11-16-13-27-19(22-16)12-25-17-7-5-15(21)6-8-17/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXVMZFXMIEODICR-UHFFFAOYSA-N
MW420.99 g/mol
LogP5.74
Rot. Bonds8

About N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 46150334) has the molecular formula C20H21ClN2O2S2 and a molecular weight of 420.99 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID46150334
Molecular FormulaC20H21ClN2O2S2
Molecular Weight420.99 g/mol
Exact Mass420.07
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccs1
InChIInChI=1S/C20H21ClN2O2S2/c1-14(2)10-23(20(24)18-4-3-9-26-18)11-16-13-27-19(22-16)12-25-17-7-5-15(21)6-8-17/h3-9,13-14H,10-12H2,1-2H3
InChIKeyXVMZFXMIEODICR-UHFFFAOYSA-N
XLogP5.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.99
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008327
3-tert-butyl-1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(2-methylpropyl)urea
CID 46009621
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 46008342
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008357
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46008241
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
CID 46008365
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 42837303
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008214
N-butan-2-yl-4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682545
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46008919

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 46150334) is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)c1cccs1.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is XVMZFXMIEODICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S2/c1-14(2)10-23(20(24)18-4-3-9-26-18)11-16-13-27-19(22-16)12-25-17-7-5-15(21)6-8-17/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 420.99 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 46150334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).