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

C27H31NO5S — CID 26334698

IUPAC2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1OC
InChIInChI=1S/C27H31NO5S/c1-30-25-10-4-9-24(26(25)31-2)27(29)28(18-23-8-5-13-32-23)17-21-6-3-7-22(16-21)33-14-11-20-12-15-34-19-20/h3-4,6-7,9-10,12,15-16,19,23H,5,8,11,13-14,17-18H2,1-2H3/t23-/m0/s1
InChIKeyYQLSQKRGOJBMOP-QHCPKHFHSA-N
MW481.61 g/mol
LogP5.21
Rot. Bonds11

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

2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide (PubChem CID 26334698) has the molecular formula C27H31NO5S and a molecular weight of 481.61 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
PubChem CID26334698
Molecular FormulaC27H31NO5S
Molecular Weight481.61 g/mol
Exact Mass481.19
IUPAC Name2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1OC
InChIInChI=1S/C27H31NO5S/c1-30-25-10-4-9-24(26(25)31-2)27(29)28(18-23-8-5-13-32-23)17-21-6-3-7-22(16-21)33-14-11-20-12-15-34-19-20/h3-4,6-7,9-10,12,15-16,19,23H,5,8,11,13-14,17-18H2,1-2H3/t23-/m0/s1
InChIKeyYQLSQKRGOJBMOP-QHCPKHFHSA-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 2,3-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
3,5-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42501340
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
4-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 42448796
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
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42428933
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 42273802
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
2-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055429
6-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyridine-2-carboxamide
CID 50981472
N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
CID 118757005

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide (CID 26334698) is 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide is COc1cccc(C(=O)N(Cc2cccc(OCCc3ccsc3)c2)C[C@@H]2CCCO2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
The InChIKey is YQLSQKRGOJBMOP-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H31NO5S/c1-30-25-10-4-9-24(26(25)31-2)27(29)28(18-23-8-5-13-32-23)17-21-6-3-7-22(16-21)33-14-11-20-12-15-34-19-20/h3-4,6-7,9-10,12,15-16,19,23H,5,8,11,13-14,17-18H2,1-2H3/t23-/m0/s1.
What are the key properties of 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide?
2,3-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 2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 26334698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).