N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide

C13H19NOS — CID 10490068

IUPACN,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide
SMILESC=CCc1c(C)csc1C(=O)N(CC)CC
InChIInChI=1S/C13H19NOS/c1-5-8-11-10(4)9-16-12(11)13(15)14(6-2)7-3/h5,9H,1,6-8H2,2-4H3
InChIKeyDNOXDKRVOBOCGA-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.27
Rot. Bonds5

About N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide

N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide (PubChem CID 10490068) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide
PubChem CID10490068
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide
SMILESC=CCc1c(C)csc1C(=O)N(CC)CC
InChIInChI=1S/C13H19NOS/c1-5-8-11-10(4)9-16-12(11)13(15)14(6-2)7-3/h5,9H,1,6-8H2,2-4H3
InChIKeyDNOXDKRVOBOCGA-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide (CID 10490068) is N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide is C=CCc1c(C)csc1C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide?
The InChIKey is DNOXDKRVOBOCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-5-8-11-10(4)9-16-12(11)13(15)14(6-2)7-3/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide?
N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-3-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 10490068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).