2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide

C17H17N3O2S — CID 86866343

IUPAC2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C17H17N3O2S/c1-11(2)20(9-13-5-3-12(8-18)4-6-13)17(22)15-7-14(10-23-15)16(19)21/h3-7,10-11H,9H2,1-2H3,(H2,19,21)
InChIKeyLATTVMUUEJNZQD-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.77
Rot. Bonds5

About 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide

2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide (PubChem CID 86866343) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide
PubChem CID86866343
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide
SMILESCC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C17H17N3O2S/c1-11(2)20(9-13-5-3-12(8-18)4-6-13)17(22)15-7-14(10-23-15)16(19)21/h3-7,10-11H,9H2,1-2H3,(H2,19,21)
InChIKeyLATTVMUUEJNZQD-UHFFFAOYSA-N
XLogP2.77
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-5-(phenylcarbamoylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 78853392
N-[(4-cyanophenyl)methyl]-2-methyl-1,3-dioxo-N-propan-2-ylisoindole-5-carboxamide
CID 86927009
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
N-[(4-aminophenyl)methyl]-5-bromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959329
3-tert-butyl-N-[(4-cyanophenyl)methyl]-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 87024579
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056164
N-[(4-cyanophenyl)methyl]-1-methylsulfonyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78853351
4-cyanothiophene-2-carboxamide;ethane
CID 170761979
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
N-[(4-cyanophenyl)methyl]-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
CID 86931824
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618
4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
CID 113221979

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide (CID 86866343) is 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide is CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide?
The InChIKey is LATTVMUUEJNZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11(2)20(9-13-5-3-12(8-18)4-6-13)17(22)15-7-14(10-23-15)16(19)21/h3-7,10-11H,9H2,1-2H3,(H2,19,21).
What are the key properties of 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide?
2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-cyanophenyl)methyl]-2-N-propan-2-ylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 86866343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).