4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide

C25H26N2O3S — CID 133188885

IUPAC4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)CCC3)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-17-15-22(13-14-24(17)27-31(29,30)23-9-4-3-5-10-23)25(28)26-18(2)20-12-11-19-7-6-8-21(19)16-20/h3-5,9-16,18,27H,6-8H2,1-2H3,(H,26,28)
InChIKeyUUJLWTZFBYTDGM-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.78
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide

4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide (PubChem CID 133188885) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
PubChem CID133188885
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc3c(c2)CCC3)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-17-15-22(13-14-24(17)27-31(29,30)23-9-4-3-5-10-23)25(28)26-18(2)20-12-11-19-7-6-8-21(19)16-20/h3-5,9-16,18,27H,6-8H2,1-2H3,(H,26,28)
InChIKeyUUJLWTZFBYTDGM-UHFFFAOYSA-N
XLogP4.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide (CID 133188885) is 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide is Cc1cc(C(=O)NC(C)c2ccc3c(c2)CCC3)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide?
The InChIKey is UUJLWTZFBYTDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-17-15-22(13-14-24(17)27-31(29,30)23-9-4-3-5-10-23)25(28)26-18(2)20-12-11-19-7-6-8-21(19)16-20/h3-5,9-16,18,27H,6-8H2,1-2H3,(H,26,28).
What are the key properties of 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide?
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 133188885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).