N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide

C14H18N2O4S — CID 63850228

IUPACN-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NC1CCC1)CO2
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)12-4-5-13-9(7-12)6-10(8-20-13)14(17)16-11-2-1-3-11/h4-5,7,10-11H,1-3,6,8H2,(H,16,17)(H2,15,18,19)
InChIKeyDOQNYBTXRRKIEV-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.55
Rot. Bonds3

About N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide

N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 63850228) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID63850228
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CC(C(=O)NC1CCC1)CO2
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)12-4-5-13-9(7-12)6-10(8-20-13)14(17)16-11-2-1-3-11/h4-5,7,10-11H,1-3,6,8H2,(H,16,17)(H2,15,18,19)
InChIKeyDOQNYBTXRRKIEV-UHFFFAOYSA-N
XLogP0.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 63850228) is N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide is NS(=O)(=O)c1ccc2c(c1)CC(C(=O)NC1CCC1)CO2.
What is the InChIKey of N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DOQNYBTXRRKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-21(18,19)12-4-5-13-9(7-12)6-10(8-20-13)14(17)16-11-2-1-3-11/h4-5,7,10-11H,1-3,6,8H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 63850228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).