4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide

C19H18N2O2S — CID 46926709

IUPAC4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc3ccccc3c2)c(C(N)=O)c1C
InChIInChI=1S/C19H18N2O2S/c1-11-12(2)24-19(17(11)18(20)23)21-16(22)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyRWCNFBYGQCDGEA-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.80
Rot. Bonds4

About 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide

4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide (PubChem CID 46926709) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
PubChem CID46926709
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc3ccccc3c2)c(C(N)=O)c1C
InChIInChI=1S/C19H18N2O2S/c1-11-12(2)24-19(17(11)18(20)23)21-16(22)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyRWCNFBYGQCDGEA-UHFFFAOYSA-N
XLogP3.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 16849358
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
diethyl 3-methyl-5-[(2-naphthalen-2-ylacetyl)amino]thiophene-2,4-dicarboxylate
CID 16849356
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 5071821
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
CID 10714147
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide (CID 46926709) is 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide is Cc1sc(NC(=O)Cc2ccc3ccccc3c2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is RWCNFBYGQCDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-11-12(2)24-19(17(11)18(20)23)21-16(22)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,10H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 46926709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).