5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide

C19H25ClN2O2S — CID 95058286

IUPAC5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H25ClN2O2S/c1-3-14-6-4-5-10-22(14)11-9-21-19(23)18-17(24-2)15-12-13(20)7-8-16(15)25-18/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyFEUAXGCXCZPWJU-CQSZACIVSA-N
MW380.94 g/mol
LogP4.56
Rot. Bonds6

About 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide

5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 95058286) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID95058286
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)c1sc2ccc(Cl)cc2c1OC
InChIInChI=1S/C19H25ClN2O2S/c1-3-14-6-4-5-10-22(14)11-9-21-19(23)18-17(24-2)15-12-13(20)7-8-16(15)25-18/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyFEUAXGCXCZPWJU-CQSZACIVSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide (CID 95058286) is 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide is CC[C@@H]1CCCCN1CCNC(=O)c1sc2ccc(Cl)cc2c1OC.
What is the InChIKey of 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is FEUAXGCXCZPWJU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25ClN2O2S/c1-3-14-6-4-5-10-22(14)11-9-21-19(23)18-17(24-2)15-12-13(20)7-8-16(15)25-18/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide?
5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 380.94 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95058286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).