N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H20N2O3S2 — CID 24592593

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C19H20N2O3S2/c22-19(18-13-14-5-1-2-6-17(14)25-18)20-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h1-2,5-10,18H,3-4,11-13H2,(H,20,22)
InChIKeyMHRFJXYVWIALQB-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.13
Rot. Bonds4

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24592593) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24592593
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C19H20N2O3S2/c22-19(18-13-14-5-1-2-6-17(14)25-18)20-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h1-2,5-10,18H,3-4,11-13H2,(H,20,22)
InChIKeyMHRFJXYVWIALQB-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931163
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-[4-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114299762
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-2-ethylsulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2479613
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
2,3-dihydro-1-benzothiophen-2-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 55486793
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24592593) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1Cc2ccccc2S1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is MHRFJXYVWIALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-19(18-13-14-5-1-2-6-17(14)25-18)20-15-7-9-16(10-8-15)26(23,24)21-11-3-4-12-21/h1-2,5-10,18H,3-4,11-13H2,(H,20,22).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24592593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).