N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide

C20H19NOS — CID 9327727

IUPACN-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)s1
InChIInChI=1S/C20H19NOS/c1-14-12-18(15(2)23-14)20(22)21-19-11-7-6-10-17(19)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeySFVFIYXMRRVITD-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.21
Rot. Bonds4

About N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide

N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 9327727) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID9327727
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC NameN-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)s1
InChIInChI=1S/C20H19NOS/c1-14-12-18(15(2)23-14)20(22)21-19-11-7-6-10-17(19)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeySFVFIYXMRRVITD-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,5-dimethylthiophene-3-carbonyl)amino]phenyl]acetic acid
CID 62534196
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040
N-(2-benzylphenyl)-3-methylfuran-2-carboxamide
CID 51240617
N-(2-benzylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 4785719
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide (CID 9327727) is N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(C)s1.
What is the InChIKey of N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is SFVFIYXMRRVITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-14-12-18(15(2)23-14)20(22)21-19-11-7-6-10-17(19)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 9327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).