N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide

C13H21N3O2S — CID 66386114

IUPACN-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccsc1CNCCNC(=O)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-9(2)13(18)15-6-5-14-8-12-11(4-7-19-12)16-10(3)17/h4,7,9,14H,5-6,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOUOURJKCBJKVNN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.57
Rot. Bonds7

About N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 66386114) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
PubChem CID66386114
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccsc1CNCCNC(=O)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-9(2)13(18)15-6-5-14-8-12-11(4-7-19-12)16-10(3)17/h4,7,9,14H,5-6,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOUOURJKCBJKVNN-UHFFFAOYSA-N
XLogP1.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66386722
methyl 3-[(3-acetamidothiophen-2-yl)methylamino]propanoate
CID 66384915
N-[2-[[3-(2-methylpropoxy)propylamino]methyl]thiophen-3-yl]acetamide
CID 66385918
N-[2-[(2-ethoxyethylamino)methyl]thiophen-3-yl]acetamide
CID 66385931
N-[2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]thiophen-3-yl]acetamide
CID 66387407
N-[2-[[(4-propan-2-ylphenyl)methylamino]methyl]thiophen-3-yl]acetamide
CID 66386592
N-[2-[[2-(methylsulfamoyl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114174810
N-[2-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 66387573
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
N-[2-[(cyclopropylmethylamino)methyl]thiophen-3-yl]acetamide
CID 66384880
N-[2-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophen-3-yl]acetamide
CID 66387774
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide (CID 66386114) is N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide is CC(=O)Nc1ccsc1CNCCNC(=O)C(C)C.
What is the InChIKey of N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is OUOURJKCBJKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)13(18)15-6-5-14-8-12-11(4-7-19-12)16-10(3)17/h4,7,9,14H,5-6,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-acetamidothiophen-2-yl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 66386114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).