4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide

C19H21N3O2S — CID 1130825

IUPAC4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)17-13(3)15(12-20)18(25-17)21-16(23)11-14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyXHHOXHQNUHIHRC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.59
Rot. Bonds6

About 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide

4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide (PubChem CID 1130825) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide
PubChem CID1130825
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)17-13(3)15(12-20)18(25-17)21-16(23)11-14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyXHHOXHQNUHIHRC-UHFFFAOYSA-N
XLogP3.59
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide (CID 1130825) is 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C.
What is the InChIKey of 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide?
The InChIKey is XHHOXHQNUHIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-22(5-2)19(24)17-13(3)15(12-20)18(25-17)21-16(23)11-14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,21,23).
What are the key properties of 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide?
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-diethyl-3-methyl-5-[(2-phenylacetyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 1130825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).