2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide

C20H31N3O2S — CID 118771400

IUPAC2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide
SMILESNCCOc1cccc(CC(=O)NC2CCN(C3CCSCC3)CC2)c1
InChIInChI=1S/C20H31N3O2S/c21-8-11-25-19-3-1-2-16(14-19)15-20(24)22-17-4-9-23(10-5-17)18-6-12-26-13-7-18/h1-3,14,17-18H,4-13,15,21H2,(H,22,24)
InChIKeyJCGUQJQJPMZYQR-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.04
Rot. Bonds7

About 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide

2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide (PubChem CID 118771400) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide
PubChem CID118771400
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide
SMILESNCCOc1cccc(CC(=O)NC2CCN(C3CCSCC3)CC2)c1
InChIInChI=1S/C20H31N3O2S/c21-8-11-25-19-3-1-2-16(14-19)15-20(24)22-17-4-9-23(10-5-17)18-6-12-26-13-7-18/h1-3,14,17-18H,4-13,15,21H2,(H,22,24)
InChIKeyJCGUQJQJPMZYQR-UHFFFAOYSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
2-[3-(2-aminoethoxy)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 118774113
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
1-[3-(2-aminoethoxy)phenyl]-3,3-dimethylbutan-2-one
CID 59320009
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171153351
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide (CID 118771400) is 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide is NCCOc1cccc(CC(=O)NC2CCN(C3CCSCC3)CC2)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide?
The InChIKey is JCGUQJQJPMZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c21-8-11-25-19-3-1-2-16(14-19)15-20(24)22-17-4-9-23(10-5-17)18-6-12-26-13-7-18/h1-3,14,17-18H,4-13,15,21H2,(H,22,24).
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide?
2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide has a molecular weight of 377.55 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 118771400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).