5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride

C15H18Cl2N2O2S2 — CID 6602903

IUPAC5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S2.ClH/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18;/h1-4,9,11H,5-8,10H2,(H,17,19);1H
InChIKeyPIDMVBFZSXKMRQ-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride

5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 6602903) has the molecular formula C15H18Cl2N2O2S2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID6602903
Molecular FormulaC15H18Cl2N2O2S2
Molecular Weight393.36 g/mol
Exact Mass392.02
IUPAC Name5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S2.ClH/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18;/h1-4,9,11H,5-8,10H2,(H,17,19);1H
InChIKeyPIDMVBFZSXKMRQ-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.69
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-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 6602903) is 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is PIDMVBFZSXKMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S2.ClH/c16-14-4-3-13(22-14)15(19)17-10-11(12-2-1-9-21-12)18-5-7-20-8-6-18;/h1-4,9,11H,5-8,10H2,(H,17,19);1H.
What are the key properties of 5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride?
5-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 393.36 g/mol, XLogP of 3.69, 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-thiophen-2-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 6602903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).