N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide

C18H17NO2S — CID 54583567

IUPACN-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
SMILESCc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1
InChIInChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
InChIKeyCMGSSJWKGPOZDK-UHFFFAOYSA-N
MW311.41 g/mol
LogP5.19
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide

N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide (PubChem CID 54583567) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
PubChem CID54583567
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide
SMILESCc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1
InChIInChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20)
InChIKeyCMGSSJWKGPOZDK-UHFFFAOYSA-N
XLogP5.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide (CID 54583567) is N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide is Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is CMGSSJWKGPOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-11-5-4-6-12(2)16(11)19-18(20)15-8-7-14(21-15)17-13(3)9-10-22-17/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide?
N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(3-methylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 54583567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).