2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C14H22N2O2S — CID 111487456

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(CCO)C2CC2)c(C)c1C
InChIInChI=1S/C14H22N2O2S/c1-9-10(2)14(19-11(9)3)15-13(18)8-16(6-7-17)12-4-5-12/h12,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyFIUZONUACIDGBM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.07
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 111487456) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID111487456
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN(CCO)C2CC2)c(C)c1C
InChIInChI=1S/C14H22N2O2S/c1-9-10(2)14(19-11(9)3)15-13(18)8-16(6-7-17)12-4-5-12/h12,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyFIUZONUACIDGBM-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-oxo-2-[(3,4,5-trimethylthiophen-2-yl)amino]ethyl]amino]propanoic acid
CID 122100561
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110899449
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 109397793
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60510265
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60510107
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 60509941
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
ethyl 3-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 60509873

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 111487456) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN(CCO)C2CC2)c(C)c1C.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is FIUZONUACIDGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-10(2)14(19-11(9)3)15-13(18)8-16(6-7-17)12-4-5-12/h12,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 111487456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).