2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride

C23H32Cl3N5O3S — CID 118307451

IUPAC2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C23H30ClN5O3S.2ClH/c1-2-28-9-7-18-19(15-28)33-22(27-23(31)26-17-5-3-16(24)4-6-17)20(18)21(30)25-8-10-29-11-13-32-14-12-29;;/h3-6H,2,7-15H2,1H3,(H,25,30)(H2,26,27,31);2*1H
InChIKeyLFNWVVZBMLPHEQ-UHFFFAOYSA-N
MW564.97 g/mol
LogP4.33
Rot. Bonds7

About 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride

2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride (PubChem CID 118307451) has the molecular formula C23H32Cl3N5O3S and a molecular weight of 564.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
PubChem CID118307451
Molecular FormulaC23H32Cl3N5O3S
Molecular Weight564.97 g/mol
Exact Mass563.13
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C23H30ClN5O3S.2ClH/c1-2-28-9-7-18-19(15-28)33-22(27-23(31)26-17-5-3-16(24)4-6-17)20(18)21(30)25-8-10-29-11-13-32-14-12-29;;/h3-6H,2,7-15H2,1H3,(H,25,30)(H2,26,27,31);2*1H
InChIKeyLFNWVVZBMLPHEQ-UHFFFAOYSA-N
XLogP4.33
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.97
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride (CID 118307451) is 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride is CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCCN2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is LFNWVVZBMLPHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O3S.2ClH/c1-2-28-9-7-18-19(15-28)33-22(27-23(31)26-17-5-3-16(24)4-6-17)20(18)21(30)25-8-10-29-11-13-32-14-12-29;;/h3-6H,2,7-15H2,1H3,(H,25,30)(H2,26,27,31);2*1H.
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride?
2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 564.97 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 118307451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).