N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide

C16H22N2O2S — CID 71971006

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C16H22N2O2S/c1-11(2)18(3)10-16(20)17-9-13(19)15-8-12-6-4-5-7-14(12)21-15/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyBUOXJUMKBMBSNK-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 71971006) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID71971006
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C16H22N2O2S/c1-11(2)18(3)10-16(20)17-9-13(19)15-8-12-6-4-5-7-14(12)21-15/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyBUOXJUMKBMBSNK-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 71971006) is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCC(O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is BUOXJUMKBMBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)18(3)10-16(20)17-9-13(19)15-8-12-6-4-5-7-14(12)21-15/h4-8,11,13,19H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 306.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 71971006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).