6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide

C27H32N4O5S — CID 20798318

IUPAC6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2cc(S(=O)(=O)Nc3ccc(-n4ccn(CCCC5CCCC5)c4=O)cc3)ccc2O1
InChIInChI=1S/C27H32N4O5S/c28-26(32)25-13-7-20-18-23(12-14-24(20)36-25)37(34,35)29-21-8-10-22(11-9-21)31-17-16-30(27(31)33)15-3-6-19-4-1-2-5-19/h8-12,14,16-19,25,29H,1-7,13,15H2,(H2,28,32)
InChIKeyNKYNAQIUNCQUAM-UHFFFAOYSA-N
MW524.64 g/mol
LogP3.59
Rot. Bonds9

About 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide

6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 20798318) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID20798318
Molecular FormulaC27H32N4O5S
Molecular Weight524.64 g/mol
Exact Mass524.21
IUPAC Name6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESNC(=O)C1CCc2cc(S(=O)(=O)Nc3ccc(-n4ccn(CCCC5CCCC5)c4=O)cc3)ccc2O1
InChIInChI=1S/C27H32N4O5S/c28-26(32)25-13-7-20-18-23(12-14-24(20)36-25)37(34,35)29-21-8-10-22(11-9-21)31-17-16-30(27(31)33)15-3-6-19-4-1-2-5-19/h8-12,14,16-19,25,29H,1-7,13,15H2,(H2,28,32)
InChIKeyNKYNAQIUNCQUAM-UHFFFAOYSA-N
XLogP3.59
TPSA125.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 20798318) is 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide is NC(=O)C1CCc2cc(S(=O)(=O)Nc3ccc(-n4ccn(CCCC5CCCC5)c4=O)cc3)ccc2O1.
What is the InChIKey of 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NKYNAQIUNCQUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c28-26(32)25-13-7-20-18-23(12-14-24(20)36-25)37(34,35)29-21-8-10-22(11-9-21)31-17-16-30(27(31)33)15-3-6-19-4-1-2-5-19/h8-12,14,16-19,25,29H,1-7,13,15H2,(H2,28,32).
What are the key properties of 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide?
6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[3-(3-cyclopentylpropyl)-2-oxoimidazol-1-yl]phenyl]sulfamoyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 20798318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).