N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide

C18H18N2OS2 — CID 100690877

IUPACN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccsc1)N1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C18H18N2OS2/c21-18(17-10-13-4-1-2-5-16(13)23-17)19-11-15(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9-10,12,15H,3,7-8,11H2,(H,19,21)/t15-/m1/s1
InChIKeyOWQZOKFAHAIYQK-OAHLLOKOSA-N
MW342.49 g/mol
LogP4.14
Rot. Bonds5

About N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide

N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 100690877) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide
PubChem CID100690877
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NC[C@H](c1ccsc1)N1CCC1)c1cc2ccccc2s1
InChIInChI=1S/C18H18N2OS2/c21-18(17-10-13-4-1-2-5-16(13)23-17)19-11-15(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9-10,12,15H,3,7-8,11H2,(H,19,21)/t15-/m1/s1
InChIKeyOWQZOKFAHAIYQK-OAHLLOKOSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91813432
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813433
N-(2-hydroxy-2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 43393393
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)furan-2-carboxamide
CID 16931568
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide (CID 100690877) is N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide is O=C(NC[C@H](c1ccsc1)N1CCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is OWQZOKFAHAIYQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N2OS2/c21-18(17-10-13-4-1-2-5-16(13)23-17)19-11-15(20-7-3-8-20)14-6-9-22-12-14/h1-2,4-6,9-10,12,15H,3,7-8,11H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide?
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 100690877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).