N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C29H32N2O4S — CID 147032168

IUPACN-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4OC)ccc32)cc1
InChIInChI=1S/C29H32N2O4S/c1-3-36(33,34)23-13-10-21(11-14-23)19-30-28(32)31-20-29(16-6-7-17-29)25-18-22(12-15-26(25)31)24-8-4-5-9-27(24)35-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,30,32)
InChIKeyAXUTXXUTRJAPQT-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.70
Rot. Bonds6

About N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 147032168) has the molecular formula C29H32N2O4S and a molecular weight of 504.65 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID147032168
Molecular FormulaC29H32N2O4S
Molecular Weight504.65 g/mol
Exact Mass504.21
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4OC)ccc32)cc1
InChIInChI=1S/C29H32N2O4S/c1-3-36(33,34)23-13-10-21(11-14-23)19-30-28(32)31-20-29(16-6-7-17-29)25-18-22(12-15-26(25)31)24-8-4-5-9-27(24)35-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,30,32)
InChIKeyAXUTXXUTRJAPQT-UHFFFAOYSA-N
XLogP5.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyano-4-methylphenyl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545403
5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylphenyl]-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545399
5-(4-amino-2-ethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549217
5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549160
N-[(4-aminosulfanylphenyl)methyl]-5-(2-methylphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549096
N-[(4-ethylsulfonylphenyl)methyl]-5-(4-methylhexa-2,4-dien-3-yl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 123956630
5-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545347
N-[(4-ethylsulfonylphenyl)methyl]-5-(4-fluoro-2-methylphenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
CID 90645726
N-[[4-(methylsulfamoyl)phenyl]methyl]-5-(3-pyrrolidin-1-ylphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545368
methyl 2-[1-[3-(4-ethylsulfonylphenyl)propanoyl]spiro[2H-indole-3,1'-cyclopentane]-5-yl]-4-fluorobenzoate
CID 158750619
ethyl 4-fluoro-2-[1-[(4-sulfanylphenyl)methylcarbamoyl]spiro[2H-indole-3,1'-cyclopentane]-5-yl]benzoate
CID 134549311
5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134548954

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 147032168) is N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccccc4OC)ccc32)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is AXUTXXUTRJAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4S/c1-3-36(33,34)23-13-10-21(11-14-23)19-30-28(32)31-20-29(16-6-7-17-29)25-18-22(12-15-26(25)31)24-8-4-5-9-27(24)35-2/h4-5,8-15,18H,3,6-7,16-17,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 504.65 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 147032168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).