5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide

C12H12ClNO2S — CID 90536055

IUPAC5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C12H12ClNO2S/c1-7-5-9(8(2)16-7)6-14-12(15)10-3-4-11(13)17-10/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyFUNKITBIVXRKEX-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide

5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 90536055) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
PubChem CID90536055
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C12H12ClNO2S/c1-7-5-9(8(2)16-7)6-14-12(15)10-3-4-11(13)17-10/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyFUNKITBIVXRKEX-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 86950498
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536049
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003
5-chloro-N-(3-methyl-2-oxobutyl)thiophene-2-carboxamide
CID 64994287
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide (CID 90536055) is 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide is Cc1cc(CNC(=O)c2ccc(Cl)s2)c(C)o1.
What is the InChIKey of 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FUNKITBIVXRKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-7-5-9(8(2)16-7)6-14-12(15)10-3-4-11(13)17-10/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide?
5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 269.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 90536055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).