N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide

C12H16N2OS — CID 95329442

IUPACN-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)[C@@H](C)CC#N
InChIInChI=1S/C12H16N2OS/c1-4-10-6-8-16-11(10)12(15)14(3)9(2)5-7-13/h6,8-9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyUVDCVIMYVJKXAU-VIFPVBQESA-N
MW236.34 g/mol
LogP2.68
Rot. Bonds4

About N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide

N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 95329442) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide
PubChem CID95329442
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)[C@@H](C)CC#N
InChIInChI=1S/C12H16N2OS/c1-4-10-6-8-16-11(10)12(15)14(3)9(2)5-7-13/h6,8-9H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyUVDCVIMYVJKXAU-VIFPVBQESA-N
XLogP2.68
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide (CID 95329442) is N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide is CCc1ccsc1C(=O)N(C)[C@@H](C)CC#N.
What is the InChIKey of N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is UVDCVIMYVJKXAU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-10-6-8-16-11(10)12(15)14(3)9(2)5-7-13/h6,8-9H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide?
N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyanopropan-2-yl]-3-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 95329442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).