N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide

C21H20ClFN2O2S — CID 26540797

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H20ClFN2O2S/c1-13-10-17(18(27-2)11-16(13)22)25-20(26)12-24-21(19-4-3-9-28-19)14-5-7-15(23)8-6-14/h3-11,21,24H,12H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyWJXNMEKKVWOKML-OAQYLSRUSA-N
MW418.92 g/mol
LogP5.18
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 26540797) has the molecular formula C21H20ClFN2O2S and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID26540797
Molecular FormulaC21H20ClFN2O2S
Molecular Weight418.92 g/mol
Exact Mass418.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C21H20ClFN2O2S/c1-13-10-17(18(27-2)11-16(13)22)25-20(26)12-24-21(19-4-3-9-28-19)14-5-7-15(23)8-6-14/h3-11,21,24H,12H2,1-2H3,(H,25,26)/t21-/m1/s1
InChIKeyWJXNMEKKVWOKML-OAQYLSRUSA-N
XLogP5.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 41023049
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46566797
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60537329
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40987640
N-(4,5-dimethyl-2-nitrophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051915
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944837
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 51944839

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 26540797) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is WJXNMEKKVWOKML-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20ClFN2O2S/c1-13-10-17(18(27-2)11-16(13)22)25-20(26)12-24-21(19-4-3-9-28-19)14-5-7-15(23)8-6-14/h3-11,21,24H,12H2,1-2H3,(H,25,26)/t21-/m1/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 418.92 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 26540797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).