N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide

C12H14N2O2S — CID 78998920

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-8-17-11(10)12(15)14(7-2-6-13)9-3-4-9/h5,8-9H,2-4,7H2,1H3
InChIKeyHAVJXCQBULDEIX-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.27
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide (PubChem CID 78998920) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
PubChem CID78998920
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-8-17-11(10)12(15)14(7-2-6-13)9-3-4-9/h5,8-9H,2-4,7H2,1H3
InChIKeyHAVJXCQBULDEIX-UHFFFAOYSA-N
XLogP2.27
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide (CID 78998920) is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide?
The InChIKey is HAVJXCQBULDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-5-8-17-11(10)12(15)14(7-2-6-13)9-3-4-9/h5,8-9H,2-4,7H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 78998920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).