N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

C20H24N2O3S — CID 133188763

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O3S/c1-14(17-8-7-15-5-4-6-18(15)13-17)21-20(23)16-9-11-19(12-10-16)22(2)26(3,24)25/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyIPJHSTMSNQSFNI-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 133188763) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID133188763
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O3S/c1-14(17-8-7-15-5-4-6-18(15)13-17)21-20(23)16-9-11-19(12-10-16)22(2)26(3,24)25/h7-14H,4-6H2,1-3H3,(H,21,23)
InChIKeyIPJHSTMSNQSFNI-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188789
4-[methyl(methylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191284
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188718
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
N-[1-(4-methoxyphenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 53279777
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 125086770
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188872
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 133188763) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is CC(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is IPJHSTMSNQSFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(17-8-7-15-5-4-6-18(15)13-17)21-20(23)16-9-11-19(12-10-16)22(2)26(3,24)25/h7-14H,4-6H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 133188763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).