N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide

C11H14N2OS — CID 55207587

IUPACN-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(C)C#N)s1
InChIInChI=1S/C11H14N2OS/c1-8(6-12)7-13(3)11(14)10-5-4-9(2)15-10/h4-5,8H,7H2,1-3H3
InChIKeyQXHHEVIJDDUTHL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.29
Rot. Bonds3

About N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide

N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 55207587) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID55207587
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(C)C#N)s1
InChIInChI=1S/C11H14N2OS/c1-8(6-12)7-13(3)11(14)10-5-4-9(2)15-10/h4-5,8H,7H2,1-3H3
InChIKeyQXHHEVIJDDUTHL-UHFFFAOYSA-N
XLogP2.29
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(2-cyanopropyl)-5-(3-hydroxyprop-1-ynyl)-N,4-dimethylthiophene-2-carboxamide
CID 79982105
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide (CID 55207587) is N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)CC(C)C#N)s1.
What is the InChIKey of N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is QXHHEVIJDDUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(6-12)7-13(3)11(14)10-5-4-9(2)15-10/h4-5,8H,7H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide?
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 55207587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).