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

C17H18F2N4O2S — CID 118307448

IUPAC2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(F)c(F)c3)c2C(N)=O)C1
InChIInChI=1S/C17H18F2N4O2S/c1-2-23-6-5-10-13(8-23)26-16(14(10)15(20)24)22-17(25)21-9-3-4-11(18)12(19)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,20,24)(H2,21,22,25)
InChIKeyQEIQHNNRELCOIX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.15
Rot. Bonds4

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

2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118307448) has the molecular formula C17H18F2N4O2S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118307448
Molecular FormulaC17H18F2N4O2S
Molecular Weight380.42 g/mol
Exact Mass380.11
IUPAC Name2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(F)c(F)c3)c2C(N)=O)C1
InChIInChI=1S/C17H18F2N4O2S/c1-2-23-6-5-10-13(8-23)26-16(14(10)15(20)24)22-17(25)21-9-3-4-11(18)12(19)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,20,24)(H2,21,22,25)
InChIKeyQEIQHNNRELCOIX-UHFFFAOYSA-N
XLogP3.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118307448) is 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)Nc3ccc(F)c(F)c3)c2C(N)=O)C1.
What is the InChIKey of 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is QEIQHNNRELCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2S/c1-2-23-6-5-10-13(8-23)26-16(14(10)15(20)24)22-17(25)21-9-3-4-11(18)12(19)7-9/h3-4,7H,2,5-6,8H2,1H3,(H2,20,24)(H2,21,22,25).
What are the key properties of 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118307448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).