N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C22H22N2O4S2 — CID 47004357

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S2/c1-28-20-9-3-2-8-19(20)24(30(26,27)22-10-5-13-29-22)15-21(25)23-18-12-11-16-6-4-7-17(16)14-18/h2-3,5,8-14H,4,6-7,15H2,1H3,(H,23,25)
InChIKeyQKWITMNKYMQOOJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.08
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 47004357) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID47004357
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S2/c1-28-20-9-3-2-8-19(20)24(30(26,27)22-10-5-13-29-22)15-21(25)23-18-12-11-16-6-4-7-17(16)14-18/h2-3,5,8-14H,4,6-7,15H2,1H3,(H,23,25)
InChIKeyQKWITMNKYMQOOJ-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221704
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7966742
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30265197
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 30266955
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43900957

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 47004357) is N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is QKWITMNKYMQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-28-20-9-3-2-8-19(20)24(30(26,27)22-10-5-13-29-22)15-21(25)23-18-12-11-16-6-4-7-17(16)14-18/h2-3,5,8-14H,4,6-7,15H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 47004357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).