N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H20N2O3S2 — CID 77086366

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N2O3S2/c18-15(14-11-12-5-1-2-6-13(12)21-14)16-7-10-22(19,20)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-11H2,(H,16,18)
InChIKeyMQHFKYANXGQAKA-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.25
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 77086366) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID77086366
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N2O3S2/c18-15(14-11-12-5-1-2-6-13(12)21-14)16-7-10-22(19,20)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-11H2,(H,16,18)
InChIKeyMQHFKYANXGQAKA-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592593
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313177
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26015643
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(2-benzylsulfinylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 146121654
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
CID 130171257
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 77086366) is N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCCS(=O)(=O)N1CCCC1)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is MQHFKYANXGQAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c18-15(14-11-12-5-1-2-6-13(12)21-14)16-7-10-22(19,20)17-8-3-4-9-17/h1-2,5-6,14H,3-4,7-11H2,(H,16,18).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 77086366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).