4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

C25H27NO3S — CID 155982714

IUPAC4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CC2(C(=O)NCc3cccs3)CCOCC2)cc1
InChIInChI=1S/C25H27NO3S/c1-28-23-7-3-2-6-22(23)20-10-8-19(9-11-20)17-25(12-14-29-15-13-25)24(27)26-18-21-5-4-16-30-21/h2-11,16H,12-15,17-18H2,1H3,(H,26,27)
InChIKeyRGDPQJCBKSHSMS-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.08
Rot. Bonds7

About 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (PubChem CID 155982714) has the molecular formula C25H27NO3S and a molecular weight of 421.56 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
PubChem CID155982714
Molecular FormulaC25H27NO3S
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CC2(C(=O)NCc3cccs3)CCOCC2)cc1
InChIInChI=1S/C25H27NO3S/c1-28-23-7-3-2-6-22(23)20-10-8-19(9-11-20)17-25(12-14-29-15-13-25)24(27)26-18-21-5-4-16-30-21/h2-11,16H,12-15,17-18H2,1H3,(H,26,27)
InChIKeyRGDPQJCBKSHSMS-UHFFFAOYSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
CID 110082574
methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
CID 110082576
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
CID 129455548
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 132779272
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974447
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (CID 155982714) is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is COc1ccccc1-c1ccc(CC2(C(=O)NCc3cccs3)CCOCC2)cc1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is RGDPQJCBKSHSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3S/c1-28-23-7-3-2-6-22(23)20-10-8-19(9-11-20)17-25(12-14-29-15-13-25)24(27)26-18-21-5-4-16-30-21/h2-11,16H,12-15,17-18H2,1H3,(H,26,27).
What are the key properties of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 155982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).