N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide

C25H25N3O5S — CID 4790967

IUPACN-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H25N3O5S/c29-24(17-33-22-13-12-19-8-4-9-20(19)14-22)27-28-25(30)21-10-5-11-23(15-21)34(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,10-15,26H,4,8-9,16-17H2,(H,27,29)(H,28,30)
InChIKeyIAHNIPUEILGLDB-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.49
Rot. Bonds8

About N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide

N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 4790967) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID4790967
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H25N3O5S/c29-24(17-33-22-13-12-19-8-4-9-20(19)14-22)27-28-25(30)21-10-5-11-23(15-21)34(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,10-15,26H,4,8-9,16-17H2,(H,27,29)(H,28,30)
InChIKeyIAHNIPUEILGLDB-UHFFFAOYSA-N
XLogP2.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 39901705
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4786821
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-2-methylbenzohydrazide
CID 9220922
N-benzyl-3-[[2-(4-chlorophenoxy)propanoylamino]carbamoyl]benzenesulfonamide
CID 42997955
3-[[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]carbamoyl]-N-benzylbenzenesulfonamide
CID 51510456
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide (CID 4790967) is N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide is O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is IAHNIPUEILGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-24(17-33-22-13-12-19-8-4-9-20(19)14-22)27-28-25(30)21-10-5-11-23(15-21)34(31,32)26-16-18-6-2-1-3-7-18/h1-3,5-7,10-15,26H,4,8-9,16-17H2,(H,27,29)(H,28,30).
What are the key properties of N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 4790967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).