4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide

C19H21N3O3S — CID 1245950

IUPAC4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-12-15(11-20)18(26-17(12)19(24)22(2)3)21-16(23)10-7-13-5-8-14(25-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3,(H,21,23)
InChIKeyINLBIZGBTNUMNK-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.21
Rot. Bonds6

About 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide

4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide (PubChem CID 1245950) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide
PubChem CID1245950
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1
InChIInChI=1S/C19H21N3O3S/c1-12-15(11-20)18(26-17(12)19(24)22(2)3)21-16(23)10-7-13-5-8-14(25-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3,(H,21,23)
InChIKeyINLBIZGBTNUMNK-UHFFFAOYSA-N
XLogP3.21
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide (CID 1245950) is 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide is COc1ccc(CCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1.
What is the InChIKey of 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide?
The InChIKey is INLBIZGBTNUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-15(11-20)18(26-17(12)19(24)22(2)3)21-16(23)10-7-13-5-8-14(25-4)9-6-13/h5-6,8-9H,7,10H2,1-4H3,(H,21,23).
What are the key properties of 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide?
4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-[3-(4-methoxyphenyl)propanoylamino]-N,N,3-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 1245950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).