N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide

C18H18N2O2S — CID 110007533

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCC(O)c1cc2ccccc2s1)c1cccn1C1CC1
InChIInChI=1S/C18H18N2O2S/c21-15(17-10-12-4-1-2-6-16(12)23-17)11-19-18(22)14-5-3-9-20(14)13-7-8-13/h1-6,9-10,13,15,21H,7-8,11H2,(H,19,22)
InChIKeyUHKSTBHTYMZFJL-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 110007533) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
PubChem CID110007533
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NCC(O)c1cc2ccccc2s1)c1cccn1C1CC1
InChIInChI=1S/C18H18N2O2S/c21-15(17-10-12-4-1-2-6-16(12)23-17)11-19-18(22)14-5-3-9-20(14)13-7-8-13/h1-6,9-10,13,15,21H,7-8,11H2,(H,19,22)
InChIKeyUHKSTBHTYMZFJL-UHFFFAOYSA-N
XLogP3.50
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 97017538
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
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
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide (CID 110007533) is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide is O=C(NCC(O)c1cc2ccccc2s1)c1cccn1C1CC1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is UHKSTBHTYMZFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-15(17-10-12-4-1-2-6-16(12)23-17)11-19-18(22)14-5-3-9-20(14)13-7-8-13/h1-6,9-10,13,15,21H,7-8,11H2,(H,19,22).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.50, 5 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]-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 110007533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).