N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide

C16H15NO2S2 — CID 97073876

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C16H15NO2S2/c1-10-8-20-9-12(10)16(19)17-7-13(18)15-6-11-4-2-3-5-14(11)21-15/h2-6,8-9,13,18H,7H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyGRDNDPWVDWZUOA-ZDUSSCGKSA-N
MW317.44 g/mol
LogP3.73
Rot. Bonds4

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide (PubChem CID 97073876) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
PubChem CID97073876
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C16H15NO2S2/c1-10-8-20-9-12(10)16(19)17-7-13(18)15-6-11-4-2-3-5-14(11)21-15/h2-6,8-9,13,18H,7H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyGRDNDPWVDWZUOA-ZDUSSCGKSA-N
XLogP3.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-fluoro-4-methoxybenzamide
CID 97063401
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
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
CID 119788161
7-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]heptanamide
CID 119788149
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide (CID 97073876) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC[C@H](O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
The InChIKey is GRDNDPWVDWZUOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-10-8-20-9-12(10)16(19)17-7-13(18)15-6-11-4-2-3-5-14(11)21-15/h2-6,8-9,13,18H,7H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 97073876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).