methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate

C24H26N2O4S — CID 138969353

IUPACmethyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc([C@@H]3CCC(N(C)S(=O)(=O)c4ccc(C)cc4)=C3C)c2c1
InChIInChI=1S/C24H26N2O4S/c1-15-5-8-18(9-6-15)31(28,29)26(3)23-12-10-19(16(23)2)21-14-25-22-11-7-17(13-20(21)22)24(27)30-4/h5-9,11,13-14,19,25H,10,12H2,1-4H3/t19-/m1/s1
InChIKeyVCKLNNRFJMQGQN-LJQANCHMSA-N
MW438.55 g/mol
LogP4.74
Rot. Bonds5

About methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate

methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate (PubChem CID 138969353) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate
PubChem CID138969353
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Namemethyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]cc([C@@H]3CCC(N(C)S(=O)(=O)c4ccc(C)cc4)=C3C)c2c1
InChIInChI=1S/C24H26N2O4S/c1-15-5-8-18(9-6-15)31(28,29)26(3)23-12-10-19(16(23)2)21-14-25-22-11-7-17(13-20(21)22)24(27)30-4/h5-9,11,13-14,19,25H,10,12H2,1-4H3/t19-/m1/s1
InChIKeyVCKLNNRFJMQGQN-LJQANCHMSA-N
XLogP4.74
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate with MolForge

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Related Compounds

methyl 1H-indole-5-carboxylate
CID 2737635
Carmoxirole
CID 57364
Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
CID 3829008
2-Oxo-3-(4-sulfamoyl-phenylamino-methylene)-2,3-dihydro-1H-indole-5-carboxylic acid isobutyl ester
CID 135421141
Tryptamine sulfonamide, 32
CID 24825395
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-carboxylic acid
CID 11326368
Methyl 3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-carboxylate
CID 14973214
5-ethoxycarbonyl-3-(1-methyl-1,2,5,6-tetrahydropyridin-4-yl)-1H-indole
CID 14973215
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid methyl ester
CID 19936446
Methyl 9-[3-(dimethylsulfamoyl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 44193525
2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid ethyl ester
CID 44214070
Methyl 9-[3-(azetidin-1-ylsulfonyl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57395481

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate (CID 138969353) is methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate is COC(=O)c1ccc2[nH]cc([C@@H]3CCC(N(C)S(=O)(=O)c4ccc(C)cc4)=C3C)c2c1.
What is the InChIKey of methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate?
The InChIKey is VCKLNNRFJMQGQN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15-5-8-18(9-6-15)31(28,29)26(3)23-12-10-19(16(23)2)21-14-25-22-11-7-17(13-20(21)22)24(27)30-4/h5-9,11,13-14,19,25H,10,12H2,1-4H3/t19-/m1/s1.
What are the key properties of methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate?
methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-2-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl]-1H-indole-5-carboxylate is sourced from PubChem (CID 138969353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).