2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide

C15H12Cl2N2O3S — CID 139009293

IUPAC2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC2CCOc3c2ccc(Cl)c3Cl)c1
InChIInChI=1S/C15H12Cl2N2O3S/c16-9-2-1-8-10(3-4-22-13(8)12(9)17)19-15(21)11-5-7(6-23-11)14(18)20/h1-2,5-6,10H,3-4H2,(H2,18,20)(H,19,21)
InChIKeyWQSPBIIRWBAQHZ-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.41
Rot. Bonds3

About 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide

2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide (PubChem CID 139009293) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
PubChem CID139009293
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC2CCOc3c2ccc(Cl)c3Cl)c1
InChIInChI=1S/C15H12Cl2N2O3S/c16-9-2-1-8-10(3-4-22-13(8)12(9)17)19-15(21)11-5-7(6-23-11)14(18)20/h1-2,5-6,10H,3-4H2,(H2,18,20)(H,19,21)
InChIKeyWQSPBIIRWBAQHZ-UHFFFAOYSA-N
XLogP3.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
CID 124850095
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
CID 99795973
2-(cyclopropanecarbonylamino)-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 138997796
N-[(5R)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 95271671
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
CID 136587051
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 60572091
2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
CID 95775212
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3,5-dinitrobenzamide
CID 60572063
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60574675

Frequently Asked Questions

What is the IUPAC name of 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide (CID 139009293) is 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NC2CCOc3c2ccc(Cl)c3Cl)c1.
What is the InChIKey of 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide?
The InChIKey is WQSPBIIRWBAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c16-9-2-1-8-10(3-4-22-13(8)12(9)17)19-15(21)11-5-7(6-23-11)14(18)20/h1-2,5-6,10H,3-4H2,(H2,18,20)(H,19,21).
What are the key properties of 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide?
2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide has a molecular weight of 371.25 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 139009293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).