N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

C20H19NO2S — CID 56934183

IUPACN-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-21(14-15-7-4-3-5-8-15)20(22)19-12-11-18(24-19)16-9-6-10-17(13-16)23-2/h3-13H,14H2,1-2H3
InChIKeyMFXMHRHXIJKRLB-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.70
Rot. Bonds5

About N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide

N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 56934183) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID56934183
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3)s2)c1
InChIInChI=1S/C20H19NO2S/c1-21(14-15-7-4-3-5-8-15)20(22)19-12-11-18(24-19)16-9-6-10-17(13-16)23-2/h3-13H,14H2,1-2H3
InChIKeyMFXMHRHXIJKRLB-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 56934183) is N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is COc1cccc(-c2ccc(C(=O)N(C)Cc3ccccc3)s2)c1.
What is the InChIKey of N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is MFXMHRHXIJKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-21(14-15-7-4-3-5-8-15)20(22)19-12-11-18(24-19)16-9-6-10-17(13-16)23-2/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide?
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).