N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C14H24N2O2S — CID 111336370

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCCc1ccc(CNC(=O)CN(C)CC(C)(C)O)s1
InChIInChI=1S/C14H24N2O2S/c1-5-11-6-7-12(19-11)8-15-13(17)9-16(4)10-14(2,3)18/h6-7,18H,5,8-10H2,1-4H3,(H,15,17)
InChIKeyZKTUVPRAVUOJBS-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.63
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 111336370) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID111336370
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCCc1ccc(CNC(=O)CN(C)CC(C)(C)O)s1
InChIInChI=1S/C14H24N2O2S/c1-5-11-6-7-12(19-11)8-15-13(17)9-16(4)10-14(2,3)18/h6-7,18H,5,8-10H2,1-4H3,(H,15,17)
InChIKeyZKTUVPRAVUOJBS-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579
(2S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119291761
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
2-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106003719
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
N-[(5-ethylthiophen-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 103825949
4-[3-[(5-ethylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119181228
N-[1-(4-ethylphenyl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336392

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 111336370) is N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is CCc1ccc(CNC(=O)CN(C)CC(C)(C)O)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is ZKTUVPRAVUOJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-11-6-7-12(19-11)8-15-13(17)9-16(4)10-14(2,3)18/h6-7,18H,5,8-10H2,1-4H3,(H,15,17).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 284.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 111336370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).