methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate

C24H27N3O6S — CID 34038418

IUPACmethyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H27N3O6S/c1-3-33-21-11-10-17(14-22(21)34(30,31)27-12-6-7-13-27)25-23(28)16-26-15-19(24(29)32-2)18-8-4-5-9-20(18)26/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,25,28)
InChIKeyVEAAJNRLRMDVOF-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.25
Rot. Bonds8

About methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate (PubChem CID 34038418) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
PubChem CID34038418
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Namemethyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H27N3O6S/c1-3-33-21-11-10-17(14-22(21)34(30,31)27-12-6-7-13-27)25-23(28)16-26-15-19(24(29)32-2)18-8-4-5-9-20(18)26/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,25,28)
InChIKeyVEAAJNRLRMDVOF-UHFFFAOYSA-N
XLogP3.25
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 46510558
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 60586066
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
CID 30875257

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate (CID 34038418) is methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate is CCOc1ccc(NC(=O)Cn2cc(C(=O)OC)c3ccccc32)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is VEAAJNRLRMDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-3-33-21-11-10-17(14-22(21)34(30,31)27-12-6-7-13-27)25-23(28)16-26-15-19(24(29)32-2)18-8-4-5-9-20(18)26/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,25,28).
What are the key properties of methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 485.56 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 34038418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).