4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide

C20H23N3O4S — CID 1221824

IUPAC4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C
InChIInChI=1S/C20H23N3O4S/c1-6-23(7-2)20(25)17-12(3)13(11-21)19(28-17)22-18(24)16-14(26-4)9-8-10-15(16)27-5/h8-10H,6-7H2,1-5H3,(H,22,24)
InChIKeyHVUFJKLYACFHPH-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.68
Rot. Bonds7

About 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide

4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide (PubChem CID 1221824) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
PubChem CID1221824
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C
InChIInChI=1S/C20H23N3O4S/c1-6-23(7-2)20(25)17-12(3)13(11-21)19(28-17)22-18(24)16-14(26-4)9-8-10-15(16)27-5/h8-10H,6-7H2,1-5H3,(H,22,24)
InChIKeyHVUFJKLYACFHPH-UHFFFAOYSA-N
XLogP3.68
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide (CID 1221824) is 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C#N)c1C.
What is the InChIKey of 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
The InChIKey is HVUFJKLYACFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-6-23(7-2)20(25)17-12(3)13(11-21)19(28-17)22-18(24)16-14(26-4)9-8-10-15(16)27-5/h8-10H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide?
4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-[(2,6-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 1221824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).