N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide

C14H20N2OS — CID 97003299

IUPACN-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)CC
InChIInChI=1S/C14H20N2OS/c1-4-6-7-16(11(3)5-2)14(17)13-8-12(9-15)10-18-13/h8,10-11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyBJKMYIIIFQHSLE-LLVKDONJSA-N
MW264.39 g/mol
LogP3.66
Rot. Bonds6

About N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide

N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide (PubChem CID 97003299) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide
PubChem CID97003299
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)CC
InChIInChI=1S/C14H20N2OS/c1-4-6-7-16(11(3)5-2)14(17)13-8-12(9-15)10-18-13/h8,10-11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyBJKMYIIIFQHSLE-LLVKDONJSA-N
XLogP3.66
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide (CID 97003299) is N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide is CCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide?
The InChIKey is BJKMYIIIFQHSLE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-6-7-16(11(3)5-2)14(17)13-8-12(9-15)10-18-13/h8,10-11H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide?
N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-butyl-4-cyanothiophene-2-carboxamide is sourced from PubChem (CID 97003299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).