N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide

C12H18N2O2S — CID 47367173

IUPACN-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C12H18N2O2S/c1-4-9-6-8-17-11(9)12(16)13-7-5-10(15)14(2)3/h6,8H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyFDRSSURIFMGSTP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.52
Rot. Bonds5

About N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide (PubChem CID 47367173) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide
PubChem CID47367173
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C12H18N2O2S/c1-4-9-6-8-17-11(9)12(16)13-7-5-10(15)14(2)3/h6,8H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyFDRSSURIFMGSTP-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-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-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide (CID 47367173) is N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCCC(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is FDRSSURIFMGSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-9-6-8-17-11(9)12(16)13-7-5-10(15)14(2)3/h6,8H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47367173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).