ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

C18H22N2O4S — CID 20923388

IUPACethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H22N2O4S/c1-5-24-18(21)16-12(3)19-13(4)17(16)25(22,23)20-11(2)10-14-8-6-7-9-15(14)20/h6-9,11,19H,5,10H2,1-4H3
InChIKeyQELPSZHNVYADNH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate

ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate (PubChem CID 20923388) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
PubChem CID20923388
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C18H22N2O4S/c1-5-24-18(21)16-12(3)19-13(4)17(16)25(22,23)20-11(2)10-14-8-6-7-9-15(14)20/h6-9,11,19H,5,10H2,1-4H3
InChIKeyQELPSZHNVYADNH-UHFFFAOYSA-N
XLogP2.95
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

(3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331082
(3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331083
(3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-N-(propan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331084
(3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331085
Vegf receptor 2 kinase inhibitor I
CID 6419834
ethyl 2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 5354037
ethyl 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16023249
ethyl 2,5-dimethyl-4-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-1H-pyrrole-3-carboxylate
CID 16023251
ethyl 4-({4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16025410
Ethyl 4-({4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-YL}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16033479
Ethyl 2,5-dimethyl-4-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-YL}sulfonyl)-1H-pyrrole-3-carboxylate
CID 16033499
Ethyl 4-({3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-YL}sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 16033594

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate (CID 20923388) is ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate?
The InChIKey is QELPSZHNVYADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-5-24-18(21)16-12(3)19-13(4)17(16)25(22,23)20-11(2)10-14-8-6-7-9-15(14)20/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20923388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).