N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

C13H22N2OS — CID 71972313

IUPACN-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCCc1ccsc1CNC(=O)CN(C)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-11-6-7-17-12(11)8-14-13(16)9-15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,14,16)
InChIKeyOXQVBYYNVBOBEV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.27
Rot. Bonds6

About N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 71972313) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID71972313
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCCc1ccsc1CNC(=O)CN(C)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-11-6-7-17-12(11)8-14-13(16)9-15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,14,16)
InChIKeyOXQVBYYNVBOBEV-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
3-[(3-ethylthiophen-2-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820650
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 82848106
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686823
2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
CID 106687031

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 71972313) is N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is CCc1ccsc1CNC(=O)CN(C)C(C)C.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is OXQVBYYNVBOBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-11-6-7-17-12(11)8-14-13(16)9-15(4)10(2)3/h6-7,10H,5,8-9H2,1-4H3,(H,14,16).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 254.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 71972313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).