(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H18N2O3S2 — CID 26015643

IUPAC(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H18N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22)/t16-/m0/s1
InChIKeyZMPDAWSKSUMGHZ-INIZCTEOSA-N
MW362.48 g/mol
LogP1.71
Rot. Bonds5

About (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 26015643) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID26015643
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H18N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22)/t16-/m0/s1
InChIKeyZMPDAWSKSUMGHZ-INIZCTEOSA-N
XLogP1.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136802
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
2-(4-sulfamoylphenoxy)ethyl (2R)-2,3-dihydro-1-benzothiophene-2-carboxylate
CID 30912081
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55499136
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18139065

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 26015643) is (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2Cc3ccccc3S2)cc1.
What is the InChIKey of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is ZMPDAWSKSUMGHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,16H,9-11H2,(H,19,20)(H2,18,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26015643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).