ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate

C24H23N3O5S — CID 46389774

IUPACethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c1-2-32-23(28)20-10-6-7-11-21(20)26-24(29)25-18-12-13-22-17(16-18)14-15-27(22)33(30,31)19-8-4-3-5-9-19/h3-13,16H,2,14-15H2,1H3,(H2,25,26,29)
InChIKeyUEFRZORIJIDUFP-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.26
Rot. Bonds6

About ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate

ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate (PubChem CID 46389774) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
PubChem CID46389774
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Nameethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23N3O5S/c1-2-32-23(28)20-10-6-7-11-21(20)26-24(29)25-18-12-13-22-17(16-18)14-15-27(22)33(30,31)19-8-4-3-5-9-19/h3-13,16H,2,14-15H2,1H3,(H2,25,26,29)
InChIKeyUEFRZORIJIDUFP-UHFFFAOYSA-N
XLogP4.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3-chloro-2-methylphenyl)urea
CID 46389785
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
CID 46389735
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100766467
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-1-carboxamide
CID 16834808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate (CID 46389774) is ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate?
The InChIKey is UEFRZORIJIDUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-2-32-23(28)20-10-6-7-11-21(20)26-24(29)25-18-12-13-22-17(16-18)14-15-27(22)33(30,31)19-8-4-3-5-9-19/h3-13,16H,2,14-15H2,1H3,(H2,25,26,29).
What are the key properties of ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate?
ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate has a molecular weight of 465.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate is sourced from PubChem (CID 46389774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).