N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C26H24N2O3S2 — CID 3210889

IUPACN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(CNC(=O)C(c2cccs2)N(C(=O)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-31-21-13-11-19(12-14-21)18-27-26(30)25(23-10-6-16-33-23)28(20-7-3-2-4-8-20)24(29)17-22-9-5-15-32-22/h2-16,25H,17-18H2,1H3,(H,27,30)
InChIKeyMMGUKWQHGBUPTD-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.45
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3210889) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3210889
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCOc1ccc(CNC(=O)C(c2cccs2)N(C(=O)Cc2cccs2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-31-21-13-11-19(12-14-21)18-27-26(30)25(23-10-6-16-33-23)28(20-7-3-2-4-8-20)24(29)17-22-9-5-15-32-22/h2-16,25H,17-18H2,1H3,(H,27,30)
InChIKeyMMGUKWQHGBUPTD-UHFFFAOYSA-N
XLogP5.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
(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
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210922
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434321
(2R)-N-benzyl-2-(2-methylphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434323
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210875

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3210889) is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is COc1ccc(CNC(=O)C(c2cccs2)N(C(=O)Cc2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is MMGUKWQHGBUPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-31-21-13-11-19(12-14-21)18-27-26(30)25(23-10-6-16-33-23)28(20-7-3-2-4-8-20)24(29)17-22-9-5-15-32-22/h2-16,25H,17-18H2,1H3,(H,27,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 476.62 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3210889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).