N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide

C26H30N2O2S — CID 19710169

IUPACN-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)C1Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1
InChIInChI=1S/C26H30N2O2S/c1-3-15-28(19-21-7-5-4-6-8-21)25-17-22-11-12-24(16-23(22)18-25)27-31(29,30)26-13-9-20(2)10-14-26/h4-14,16,25,27H,3,15,17-19H2,1-2H3
InChIKeyHBHMBSISIYRJBH-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.18
Rot. Bonds8

About N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide

N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide (PubChem CID 19710169) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide
PubChem CID19710169
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)C1Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1
InChIInChI=1S/C26H30N2O2S/c1-3-15-28(19-21-7-5-4-6-8-21)25-17-22-11-12-24(16-23(22)18-25)27-31(29,30)26-13-9-20(2)10-14-26/h4-14,16,25,27H,3,15,17-19H2,1-2H3
InChIKeyHBHMBSISIYRJBH-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 142689469
N-benzyl-N-propyl-5-pyrrol-1-yl-2,3-dihydro-1H-inden-2-amine
CID 19710213
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
CID 139908024
2-[benzyl(butyl)amino]-5-[(4-methylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055281
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
diethyl (2S)-6-[(4-methylphenyl)sulfonylamino]-2-phenyl-2,3-dihydro-1,3-benzoxazine-4,4-dicarboxylate
CID 139200949
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide (CID 19710169) is N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide is CCCN(Cc1ccccc1)C1Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1.
What is the InChIKey of N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is HBHMBSISIYRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-3-15-28(19-21-7-5-4-6-8-21)25-17-22-11-12-24(16-23(22)18-25)27-31(29,30)26-13-9-20(2)10-14-26/h4-14,16,25,27H,3,15,17-19H2,1-2H3.
What are the key properties of N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide?
N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 434.61 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(propyl)amino]-2,3-dihydro-1H-inden-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 19710169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).