3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide

C27H31NO5S — CID 42501340

IUPAC3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1
InChIInChI=1S/C27H31NO5S/c1-30-25-14-22(15-26(16-25)31-2)27(29)28(18-24-7-4-10-32-24)17-21-5-3-6-23(13-21)33-11-8-20-9-12-34-19-20/h3,5-6,9,12-16,19,24H,4,7-8,10-11,17-18H2,1-2H3/t24-/m0/s1
InChIKeyFYZHHOYQDGHDJK-DEOSSOPVSA-N
MW481.61 g/mol
LogP5.21
Rot. Bonds11

About 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide

3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide (PubChem CID 42501340) has the molecular formula C27H31NO5S and a molecular weight of 481.61 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
PubChem CID42501340
Molecular FormulaC27H31NO5S
Molecular Weight481.61 g/mol
Exact Mass481.19
IUPAC Name3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1
InChIInChI=1S/C27H31NO5S/c1-30-25-14-22(15-26(16-25)31-2)27(29)28(18-24-7-4-10-32-24)17-21-5-3-6-23(13-21)33-11-8-20-9-12-34-19-20/h3,5-6,9,12-16,19,24H,4,7-8,10-11,17-18H2,1-2H3/t24-/m0/s1
InChIKeyFYZHHOYQDGHDJK-DEOSSOPVSA-N
XLogP5.21
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.61
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide with MolForge

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Related Compounds

2,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26317458
4-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42448796
2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26334698
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 42498720
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 42479618
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95050157

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide (CID 42501340) is 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The InChIKey is FYZHHOYQDGHDJK-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H31NO5S/c1-30-25-14-22(15-26(16-25)31-2)27(29)28(18-24-7-4-10-32-24)17-21-5-3-6-23(13-21)33-11-8-20-9-12-34-19-20/h3,5-6,9,12-16,19,24H,4,7-8,10-11,17-18H2,1-2H3/t24-/m0/s1.
What are the key properties of 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide has a molecular weight of 481.61 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 42501340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).