N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide

C13H22N2OS — CID 1439869

IUPACN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCC(C)N(C(=O)CNCc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3
InChIKeyCCFDIJCTEVLUIR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds6

About N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide

N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 1439869) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID1439869
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCC(C)N(C(=O)CNCc1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3
InChIKeyCCFDIJCTEVLUIR-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide 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,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide (CID 1439869) is N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide is CC(C)N(C(=O)CNCc1cccs1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is CCFDIJCTEVLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)15(11(3)4)13(16)9-14-8-12-6-5-7-17-12/h5-7,10-11,14H,8-9H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide?
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 254.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 1439869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).