N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide

C18H17NO3S — CID 97084277

IUPACN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC[C@@H](O)c1cc2ccccc2s1
InChIInChI=1S/C18H17NO3S/c20-14-6-3-4-12(8-14)9-18(22)19-11-15(21)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,20-21H,9,11H2,(H,19,22)/t15-/m1/s1
InChIKeyMSOGEXCIGADLAA-OAHLLOKOSA-N
MW327.41 g/mol
LogP3.00
Rot. Bonds5

About N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 97084277) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID97084277
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC[C@@H](O)c1cc2ccccc2s1
InChIInChI=1S/C18H17NO3S/c20-14-6-3-4-12(8-14)9-18(22)19-11-15(21)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,20-21H,9,11H2,(H,19,22)/t15-/m1/s1
InChIKeyMSOGEXCIGADLAA-OAHLLOKOSA-N
XLogP3.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 97084278
7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
CID 119788149
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
N-(2-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114295749
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
CID 119788161
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide (CID 97084277) is N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC[C@@H](O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is MSOGEXCIGADLAA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-14-6-3-4-12(8-14)9-18(22)19-11-15(21)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,20-21H,9,11H2,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide?
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 97084277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).