3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide

C20H22N2O2S — CID 119788161

IUPAC3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC(O)c1cc2ccccc2s1)C(N)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-13(19(21)14-7-3-2-4-8-14)20(24)22-12-16(23)18-11-15-9-5-6-10-17(15)25-18/h2-11,13,16,19,23H,12,21H2,1H3,(H,22,24)
InChIKeyUGLMQWVOXFXFDG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.39
Rot. Bonds6

About 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119788161) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
PubChem CID119788161
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC(O)c1cc2ccccc2s1)C(N)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-13(19(21)14-7-3-2-4-8-14)20(24)22-12-16(23)18-11-15-9-5-6-10-17(15)25-18/h2-11,13,16,19,23H,12,21H2,1H3,(H,22,24)
InChIKeyUGLMQWVOXFXFDG-UHFFFAOYSA-N
XLogP3.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
CID 119788149
tert-butyl N-[(2S)-1-[[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71854220
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084277
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084278
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide (CID 119788161) is 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCC(O)c1cc2ccccc2s1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is UGLMQWVOXFXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13(19(21)14-7-3-2-4-8-14)20(24)22-12-16(23)18-11-15-9-5-6-10-17(15)25-18/h2-11,13,16,19,23H,12,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 354.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).