5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide

C21H22N2O2S — CID 171586293

IUPAC5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1ccc2sccc2c1
InChIInChI=1S/C21H22N2O2S/c1-13-3-5-17(25-18-11-22-12-18)10-19(13)21(24)23-14(2)15-4-6-20-16(9-15)7-8-26-20/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyFQYNAYFVMDCBSE-CQSZACIVSA-N
MW366.49 g/mol
LogP4.05
Rot. Bonds5

About 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide

5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide (PubChem CID 171586293) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide
PubChem CID171586293
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1ccc2sccc2c1
InChIInChI=1S/C21H22N2O2S/c1-13-3-5-17(25-18-11-22-12-18)10-19(13)21(24)23-14(2)15-4-6-20-16(9-15)7-8-26-20/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyFQYNAYFVMDCBSE-CQSZACIVSA-N
XLogP4.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 164866246
5-(azetidin-3-yloxy)-N-[1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 174238104
N-[(1R)-1-[3-[5-(acetamidomethyl)thiophen-2-yl]phenyl]ethyl]-5-(azetidin-3-yloxy)-2-methylbenzamide
CID 164866124
5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
CID 164866132
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-(2-methylpropyl)furan-2-yl]phenyl]ethyl]benzamide;hexane
CID 178174497
5-(azetidin-3-yloxy)-N-[1-[3-[5-[[[(1S,3R)-3-hydroxycyclopentyl]amino]methyl]thiophen-2-yl]phenyl]ethyl]-2-methylbenzamide
CID 174238270
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-[[[(3R)-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
CID 174238100
5-[3-[1-[[5-(azetidin-3-yloxy)-2-methylbenzoyl]amino]ethyl]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 174238369
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexan-3-ol
CID 178174538
5-(azetidin-3-yloxy)-N-[1-[3-[5-[(hexan-3-ylamino)methyl]-1,3-thiazol-2-yl]phenyl]ethyl]-2-methylbenzamide
CID 164866168
5-(azetidin-3-yloxy)-2-methyl-N-[1-[3-[5-[[(1S,4R)-3-oxo-2-azabicyclo[2.2.1]heptan-2-yl]methyl]thiophen-2-yl]phenyl]ethyl]benzamide
CID 174237445
2-[(1R,3S)-3-[[5-[3-[(1R)-1-[[5-(azetidin-3-yloxy)-2-methylbenzoyl]amino]ethyl]phenyl]thiophen-2-yl]methylamino]cyclopentyl]oxyacetic acid
CID 164866278

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide (CID 171586293) is 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide is Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1ccc2sccc2c1.
What is the InChIKey of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide?
The InChIKey is FQYNAYFVMDCBSE-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-13-3-5-17(25-18-11-22-12-18)10-19(13)21(24)23-14(2)15-4-6-20-16(9-15)7-8-26-20/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide?
5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide has a molecular weight of 366.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-N-[(1R)-1-(1-benzothiophen-5-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 171586293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).