N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide

C27H30N4O3S — CID 57113557

IUPACN-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide
SMILESCCc1cc(-c2ccc(CS(=O)(=O)NC(=O)N3CCC4(CC3)CNc3ccccc34)cc2)ccn1
InChIInChI=1S/C27H30N4O3S/c1-2-23-17-22(11-14-28-23)21-9-7-20(8-10-21)18-35(33,34)30-26(32)31-15-12-27(13-16-31)19-29-25-6-4-3-5-24(25)27/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,30,32)
InChIKeySZTVBUAHTWYEED-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.31
Rot. Bonds5

About N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide

N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide (PubChem CID 57113557) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide
PubChem CID57113557
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide
SMILESCCc1cc(-c2ccc(CS(=O)(=O)NC(=O)N3CCC4(CC3)CNc3ccccc34)cc2)ccn1
InChIInChI=1S/C27H30N4O3S/c1-2-23-17-22(11-14-28-23)21-9-7-20(8-10-21)18-35(33,34)30-26(32)31-15-12-27(13-16-31)19-29-25-6-4-3-5-24(25)27/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,30,32)
InChIKeySZTVBUAHTWYEED-UHFFFAOYSA-N
XLogP4.31
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide (CID 57113557) is N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide is CCc1cc(-c2ccc(CS(=O)(=O)NC(=O)N3CCC4(CC3)CNc3ccccc34)cc2)ccn1.
What is the InChIKey of N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is SZTVBUAHTWYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-2-23-17-22(11-14-28-23)21-9-7-20(8-10-21)18-35(33,34)30-26(32)31-15-12-27(13-16-31)19-29-25-6-4-3-5-24(25)27/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,30,32).
What are the key properties of N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide?
N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyl-4-pyridinyl)phenyl]methylsulfonyl]spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 57113557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).