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

C17H20Cl2N4O2S — CID 118270225

IUPAC2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1.Cl
InChIInChI=1S/C17H19ClN4O2S.ClH/c1-2-22-8-7-13-12(9-22)14(15(19)23)16(25-13)21-17(24)20-11-5-3-10(18)4-6-11;/h3-6H,2,7-9H2,1H3,(H2,19,23)(H2,20,21,24);1H
InChIKeyLBMFLXKIUCYTNP-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.94
Rot. Bonds4

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

2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 118270225) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride
PubChem CID118270225
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1.Cl
InChIInChI=1S/C17H19ClN4O2S.ClH/c1-2-22-8-7-13-12(9-22)14(15(19)23)16(25-13)21-17(24)20-11-5-3-10(18)4-6-11;/h3-6H,2,7-9H2,1H3,(H2,19,23)(H2,20,21,24);1H
InChIKeyLBMFLXKIUCYTNP-UHFFFAOYSA-N
XLogP3.94
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride (CID 118270225) is 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2sc(NC(=O)Nc3ccc(Cl)cc3)c(C(N)=O)c2C1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is LBMFLXKIUCYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S.ClH/c1-2-22-8-7-13-12(9-22)14(15(19)23)16(25-13)21-17(24)20-11-5-3-10(18)4-6-11;/h3-6H,2,7-9H2,1H3,(H2,19,23)(H2,20,21,24);1H.
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride?
2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 415.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 118270225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).