N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide

C17H14ClNO2S — CID 2814787

IUPACN-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2)c(C)o1
InChIInChI=1S/C17H14ClNO2S/c1-10-7-15(11(2)21-10)17(20)19-14-8-16(22-9-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,19,20)
InChIKeySZKUDLJPNZKSED-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.53
Rot. Bonds3

About N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide

N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2814787) has the molecular formula C17H14ClNO2S and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2814787
Molecular FormulaC17H14ClNO2S
Molecular Weight331.82 g/mol
Exact Mass331.04
IUPAC NameN-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2)c(C)o1
InChIInChI=1S/C17H14ClNO2S/c1-10-7-15(11(2)21-10)17(20)19-14-8-16(22-9-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,19,20)
InChIKeySZKUDLJPNZKSED-UHFFFAOYSA-N
XLogP5.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 2814787) is N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2)c(C)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SZKUDLJPNZKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2S/c1-10-7-15(11(2)21-10)17(20)19-14-8-16(22-9-14)12-3-5-13(18)6-4-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide?
N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 331.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)thiophen-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2814787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).