2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C13H20N2O2S — CID 110899449

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(CCO)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15(5-6-16)11-2-3-11/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyWXFFEGCQKDWHED-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.13
Rot. Bonds7

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 110899449) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID110899449
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(CCO)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15(5-6-16)11-2-3-11/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyWXFFEGCQKDWHED-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 60693909
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60967771
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
4-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]butan-1-ol
CID 115882968
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
N-[(4-chlorophenyl)methyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60912428
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 110899449) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is WXFFEGCQKDWHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15(5-6-16)11-2-3-11/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.13, 7 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-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 110899449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).