3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide

C35H27ClN4O6S — CID 139269013

IUPAC3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide
SMILESCOc1cc(OCc2cccc(NC(=O)c3cc(Cl)cc(OCc4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C35H27ClN4O6S/c1-42-26-15-30(28-17-32(46-31(28)16-26)29-18-40-34(38-29)47-35(39-40)43-2)45-20-22-9-6-10-25(11-22)37-33(41)23-12-24(36)14-27(13-23)44-19-21-7-4-3-5-8-21/h3-18H,19-20H2,1-2H3,(H,37,41)
InChIKeyUUNNPPVKHWLMPM-UHFFFAOYSA-N
MW667.14 g/mol
LogP8.28
Rot. Bonds11

About 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide

3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide (PubChem CID 139269013) has the molecular formula C35H27ClN4O6S and a molecular weight of 667.14 g/mol. Its IUPAC name is 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide
PubChem CID139269013
Molecular FormulaC35H27ClN4O6S
Molecular Weight667.14 g/mol
Exact Mass666.13
IUPAC Name3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide
SMILESCOc1cc(OCc2cccc(NC(=O)c3cc(Cl)cc(OCc4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C35H27ClN4O6S/c1-42-26-15-30(28-17-32(46-31(28)16-26)29-18-40-34(38-29)47-35(39-40)43-2)45-20-22-9-6-10-25(11-22)37-33(41)23-12-24(36)14-27(13-23)44-19-21-7-4-3-5-8-21/h3-18H,19-20H2,1-2H3,(H,37,41)
InChIKeyUUNNPPVKHWLMPM-UHFFFAOYSA-N
XLogP8.28
TPSA109.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.14
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide with MolForge

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Related Compounds

3,5-dimethoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]benzamide
CID 122521864
2,6-dichloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-4-carboxamide
CID 139269002
6-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]pyridine-3-carboxamide
CID 139268994
N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]cyclopentanecarboxamide
CID 122521321
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
6-[4-[[3-[(2,6-dimethoxyphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068713
6-[4-[[3-[(3-chloro-4-methylphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068608
2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-(6-phenoxy-3-pyridinyl)ethanone
CID 161009723

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide (CID 139269013) is 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide is COc1cc(OCc2cccc(NC(=O)c3cc(Cl)cc(OCc4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide?
The InChIKey is UUNNPPVKHWLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27ClN4O6S/c1-42-26-15-30(28-17-32(46-31(28)16-26)29-18-40-34(38-29)47-35(39-40)43-2)45-20-22-9-6-10-25(11-22)37-33(41)23-12-24(36)14-27(13-23)44-19-21-7-4-3-5-8-21/h3-18H,19-20H2,1-2H3,(H,37,41).
What are the key properties of 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide?
3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide has a molecular weight of 667.14 g/mol, XLogP of 8.28, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-5-phenylmethoxybenzamide is sourced from PubChem (CID 139269013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).