N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide

C20H19NOS — CID 118716518

IUPACN-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)cc1
InChIInChI=1S/C20H19NOS/c1-14-7-9-16(10-8-14)18-11-12-19(23-18)20(22)21(3)17-6-4-5-15(2)13-17/h4-13H,1-3H3
InChIKeyGCTYJBCTHNMQLG-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.31
Rot. Bonds3

About N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide

N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 118716518) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID118716518
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)cc1
InChIInChI=1S/C20H19NOS/c1-14-7-9-16(10-8-14)18-11-12-19(23-18)20(22)21(3)17-6-4-5-15(2)13-17/h4-13H,1-3H3
InChIKeyGCTYJBCTHNMQLG-UHFFFAOYSA-N
XLogP5.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(hydroxymethyl)phenyl]-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 118716547
5-(3-formylphenyl)-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 118716546
N-(3-hydroxyphenyl)-5-(4-isocyanophenyl)-N-methylthiophene-2-carboxamide
CID 123580662
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363
N,5-dimethyl-N-naphthalen-2-ylthiophene-2-carboxamide
CID 51146862
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732484
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
CID 62175774
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide (CID 118716518) is N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)cc1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is GCTYJBCTHNMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-14-7-9-16(10-8-14)18-11-12-19(23-18)20(22)21(3)17-6-4-5-15(2)13-17/h4-13H,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide?
N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 118716518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).