5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide

C16H18ClN3O2S — CID 56753634

IUPAC5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O2S/c17-15-4-3-14(23-15)16(21)19-11-13(12-2-1-5-18-10-12)20-6-8-22-9-7-20/h1-5,10,13H,6-9,11H2,(H,19,21)
InChIKeyUBQPARUMJBRSNI-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.60
Rot. Bonds5

About 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide

5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 56753634) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
PubChem CID56753634
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClN3O2S/c17-15-4-3-14(23-15)16(21)19-11-13(12-2-1-5-18-10-12)20-6-8-22-9-7-20/h1-5,10,13H,6-9,11H2,(H,19,21)
InChIKeyUBQPARUMJBRSNI-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 56753634) is 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide is O=C(NCC(c1cccnc1)N1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is UBQPARUMJBRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-15-4-3-14(23-15)16(21)19-11-13(12-2-1-5-18-10-12)20-6-8-22-9-7-20/h1-5,10,13H,6-9,11H2,(H,19,21).
What are the key properties of 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 56753634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).