N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide

C26H28N2O4S — CID 133188702

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc3c(c2)CCC3)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(21-12-11-20-7-6-8-22(20)17-21)27-26(29)18-28(23-9-4-3-5-10-23)33(30,31)25-15-13-24(32-2)14-16-25/h3-5,9-17,19H,6-8,18H2,1-2H3,(H,27,29)
InChIKeyFMRCBZWHEVBVSY-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 133188702) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID133188702
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc3c(c2)CCC3)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(21-12-11-20-7-6-8-22(20)17-21)27-26(29)18-28(23-9-4-3-5-10-23)33(30,31)25-15-13-24(32-2)14-16-25/h3-5,9-17,19H,6-8,18H2,1-2H3,(H,27,29)
InChIKeyFMRCBZWHEVBVSY-UHFFFAOYSA-N
XLogP4.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133191999
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 133188756
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188194
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125087231
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191956
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 133188704
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 133188702) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC(C)c2ccc3c(c2)CCC3)c2ccccc2)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is FMRCBZWHEVBVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19(21-12-11-20-7-6-8-22(20)17-21)27-26(29)18-28(23-9-4-3-5-10-23)33(30,31)25-15-13-24(32-2)14-16-25/h3-5,9-17,19H,6-8,18H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 464.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 133188702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).