N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C17H17NO4S2 — CID 136520716

IUPACN-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1csc2c1CCCC2
InChIInChI=1S/C17H17NO4S2/c19-17(15-10-23-16-4-2-1-3-14(15)16)18-24(20,21)13-6-5-11-8-22-9-12(11)7-13/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyFRSADNURNPZXLI-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.78
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 136520716) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID136520716
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1csc2c1CCCC2
InChIInChI=1S/C17H17NO4S2/c19-17(15-10-23-16-4-2-1-3-14(15)16)18-24(20,21)13-6-5-11-8-22-9-12(11)7-13/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyFRSADNURNPZXLI-UHFFFAOYSA-N
XLogP2.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146376
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2225309
2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
CID 136520718
N-(1,2,4-triazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2970229
N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4248880
4-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
CID 45429091
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394066
4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
CID 1225770
N-(4-acetylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86977700
N-[1-(3-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51213549
N-(3-ethylphenyl)sulfonyl-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 166343363
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 13308348

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 136520716) is N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1csc2c1CCCC2.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FRSADNURNPZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c19-17(15-10-23-16-4-2-1-3-14(15)16)18-24(20,21)13-6-5-11-8-22-9-12(11)7-13/h5-7,10H,1-4,8-9H2,(H,18,19).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 136520716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).