(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C28H25FN2O3S — CID 1434456

IUPAC(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-34-24-15-13-23(14-16-24)31(26(32)18-25-8-5-17-35-25)27(21-9-11-22(29)12-10-21)28(33)30-19-20-6-3-2-4-7-20/h2-17,27H,18-19H2,1H3,(H,30,33)/t27-/m1/s1
InChIKeyGCMCXFHLQIKSCZ-HHHXNRCGSA-N
MW488.58 g/mol
LogP5.53
Rot. Bonds9

About (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 1434456) has the molecular formula C28H25FN2O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID1434456
Molecular FormulaC28H25FN2O3S
Molecular Weight488.58 g/mol
Exact Mass488.16
IUPAC Name(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H25FN2O3S/c1-34-24-15-13-23(14-16-24)31(26(32)18-25-8-5-17-35-25)27(21-9-11-22(29)12-10-21)28(33)30-19-20-6-3-2-4-7-20/h2-17,27H,18-19H2,1H3,(H,30,33)/t27-/m1/s1
InChIKeyGCMCXFHLQIKSCZ-HHHXNRCGSA-N
XLogP5.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
N-benzyl-2-(3-fluoro-4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3201952
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909
N-benzyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201948
2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210922
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-benzyl-2-phenylacetamide
CID 1434542

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 1434456) is (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide is COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is GCMCXFHLQIKSCZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H25FN2O3S/c1-34-24-15-13-23(14-16-24)31(26(32)18-25-8-5-17-35-25)27(21-9-11-22(29)12-10-21)28(33)30-19-20-6-3-2-4-7-20/h2-17,27H,18-19H2,1H3,(H,30,33)/t27-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 488.58 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 1434456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).