N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

C15H17NO2S — CID 102684944

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccccc2s1)N(CCO)C1CCC1
InChIInChI=1S/C15H17NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,10,12,17H,3,5-6,8-9H2
InChIKeyKPTGXMXIFJKHON-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.89
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 102684944) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID102684944
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(c1cc2ccccc2s1)N(CCO)C1CCC1
InChIInChI=1S/C15H17NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,10,12,17H,3,5-6,8-9H2
InChIKeyKPTGXMXIFJKHON-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-6-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 81104105
N-piperidin-4-yl-N-propyl-1-benzothiophene-2-carboxamide
CID 61406378
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 107483218
2-[1-benzothiophene-2-carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]acetic acid
CID 154753828
N-(cyclopropylmethyl)-N-propyl-1-benzothiophene-2-carboxamide
CID 134029193
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 102684363
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 134701529
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide (CID 102684944) is N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is O=C(c1cc2ccccc2s1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KPTGXMXIFJKHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,10,12,17H,3,5-6,8-9H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 102684944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).