N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C25H31N3O5S — CID 43024499

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1
InChIInChI=1S/C25H31N3O5S/c1-4-28(5-2)34(31,32)19-12-13-22(27-14-8-9-15-27)21(16-19)26-24(30)25(3)17-18-10-6-7-11-20(18)23(29)33-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,26,30)
InChIKeyRFUMRRKRLPLYTM-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.43
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 43024499) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID43024499
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1
InChIInChI=1S/C25H31N3O5S/c1-4-28(5-2)34(31,32)19-12-13-22(27-14-8-9-15-27)21(16-19)26-24(30)25(3)17-18-10-6-7-11-20(18)23(29)33-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,26,30)
InChIKeyRFUMRRKRLPLYTM-UHFFFAOYSA-N
XLogP3.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
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N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
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CID 39982639
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CID 95298708
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43054838
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 43024499) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C2(C)Cc3ccccc3C(=O)O2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is RFUMRRKRLPLYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-4-28(5-2)34(31,32)19-12-13-22(27-14-8-9-15-27)21(16-19)26-24(30)25(3)17-18-10-6-7-11-20(18)23(29)33-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,26,30).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 43024499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).