N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide

C11H14N2O2S — CID 79467466

IUPACN-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-8(5-12)6-13(2)11(14)10-4-9(15-3)7-16-10/h4,7-8H,6H2,1-3H3
InChIKeyDDOGGAFEQDQSKA-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.99
Rot. Bonds4

About N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide

N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 79467466) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID79467466
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-8(5-12)6-13(2)11(14)10-4-9(15-3)7-16-10/h4,7-8H,6H2,1-3H3
InChIKeyDDOGGAFEQDQSKA-UHFFFAOYSA-N
XLogP1.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81121733
N-(2-amino-2-hydroxyiminoethyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 81124563
N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
1-[(2R)-2-cyanopropyl]-3-(4-methoxyphenyl)-1-methylurea
CID 51957413
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide (CID 79467466) is N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)CC(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is DDOGGAFEQDQSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(5-12)6-13(2)11(14)10-4-9(15-3)7-16-10/h4,7-8H,6H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide?
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 79467466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).