5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C27H30N4O4S — CID 134549020

IUPAC5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCOc1cc(C)c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C27H30N4O4S/c1-18-13-25(35-2)29-16-22(18)20-7-10-24-23(14-20)27(11-3-4-12-27)17-31(24)26(32)30-15-19-5-8-21(9-6-19)36(28,33)34/h5-10,13-14,16H,3-4,11-12,15,17H2,1-2H3,(H,30,32)(H2,28,33,34)
InChIKeyYUQPDWSOGJDZFU-UHFFFAOYSA-N
MW506.63 g/mol
LogP4.25
Rot. Bonds5

About 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 134549020) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID134549020
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCOc1cc(C)c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C27H30N4O4S/c1-18-13-25(35-2)29-16-22(18)20-7-10-24-23(14-20)27(11-3-4-12-27)17-31(24)26(32)30-15-19-5-8-21(9-6-19)36(28,33)34/h5-10,13-14,16H,3-4,11-12,15,17H2,1-2H3,(H,30,32)(H2,28,33,34)
InChIKeyYUQPDWSOGJDZFU-UHFFFAOYSA-N
XLogP4.25
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 134549020) is 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is COc1cc(C)c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is YUQPDWSOGJDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-18-13-25(35-2)29-16-22(18)20-7-10-24-23(14-20)27(11-3-4-12-27)17-31(24)26(32)30-15-19-5-8-21(9-6-19)36(28,33)34/h5-10,13-14,16H,3-4,11-12,15,17H2,1-2H3,(H,30,32)(H2,28,33,34).
What are the key properties of 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-4-methyl-3-pyridinyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 134549020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).