methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate

C22H23ClN2O5S — CID 55571417

IUPACmethyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1
InChIInChI=1S/C22H23ClN2O5S/c1-30-21(27)22(11-4-5-12-22)24-20(26)16-8-9-17(23)19(14-16)31(28,29)25-13-10-15-6-2-3-7-18(15)25/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,26)
InChIKeyYYDRVQZPEPIAOJ-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.31
Rot. Bonds5

About methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate

methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate (PubChem CID 55571417) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate
PubChem CID55571417
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC Namemethyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1
InChIInChI=1S/C22H23ClN2O5S/c1-30-21(27)22(11-4-5-12-22)24-20(26)16-8-9-17(23)19(14-16)31(28,29)25-13-10-15-6-2-3-7-18(15)25/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,26)
InChIKeyYYDRVQZPEPIAOJ-UHFFFAOYSA-N
XLogP3.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate with MolForge

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Related Compounds

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 55335884
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
N-[1-(1-adamantyl)ethyl]-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4287223
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
4-chloro-N-[4-(diethylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4591412
[(2R)-3-oxobutan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 9274404
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605283
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2632242
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 55916648

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate (CID 55571417) is methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CCCC1.
What is the InChIKey of methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate?
The InChIKey is YYDRVQZPEPIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-30-21(27)22(11-4-5-12-22)24-20(26)16-8-9-17(23)19(14-16)31(28,29)25-13-10-15-6-2-3-7-18(15)25/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,26).
What are the key properties of methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate has a molecular weight of 462.96 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55571417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).