2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

C27H30N2O5S — CID 125087231

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C27H30N2O5S/c1-19(21-13-12-20-8-7-9-22(20)16-21)28-27(30)18-29(35(31,32)24-10-5-4-6-11-24)23-14-15-25(33-2)26(17-23)34-3/h4-6,10-17,19H,7-9,18H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyXEVLUQCCJQKOKT-LJQANCHMSA-N
MW494.61 g/mol
LogP4.27
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (PubChem CID 125087231) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
PubChem CID125087231
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C27H30N2O5S/c1-19(21-13-12-20-8-7-9-22(20)16-21)28-27(30)18-29(35(31,32)24-10-5-4-6-11-24)23-14-15-25(33-2)26(17-23)34-3/h4-6,10-17,19H,7-9,18H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyXEVLUQCCJQKOKT-LJQANCHMSA-N
XLogP4.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 133188756
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133188702
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188156
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191956
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188100
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43876650
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133158376
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133191999
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30305601

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (CID 125087231) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The InChIKey is XEVLUQCCJQKOKT-LJQANCHMSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-19(21-13-12-20-8-7-9-22(20)16-21)28-27(30)18-29(35(31,32)24-10-5-4-6-11-24)23-14-15-25(33-2)26(17-23)34-3/h4-6,10-17,19H,7-9,18H2,1-3H3,(H,28,30)/t19-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide has a molecular weight of 494.61 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is sourced from PubChem (CID 125087231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).