N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

C20H28N4O2S — CID 55784186

IUPACN-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cn1
InChIInChI=1S/C20H28N4O2S/c1-7-24(8-2)15-10-9-14(12-21-15)22-18(25)17-13(3)11-16(27-17)23-19(26)20(4,5)6/h9-12H,7-8H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyIMARDNMCLYCIGR-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.53
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (PubChem CID 55784186) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
PubChem CID55784186
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cn1
InChIInChI=1S/C20H28N4O2S/c1-7-24(8-2)15-10-9-14(12-21-15)22-18(25)17-13(3)11-16(27-17)23-19(26)20(4,5)6/h9-12H,7-8H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyIMARDNMCLYCIGR-UHFFFAOYSA-N
XLogP4.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33258524
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 46678103
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86963350
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 33218047
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 46553648
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 18283905
5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 39696841
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
5-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
CID 24677265
5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
CID 111485903
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (CID 55784186) is N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is IMARDNMCLYCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-7-24(8-2)15-10-9-14(12-21-15)22-18(25)17-13(3)11-16(27-17)23-19(26)20(4,5)6/h9-12H,7-8H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55784186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).