2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide

C21H20N2O6S — CID 1137148

IUPAC2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O6S/c24-20(18-12-14-4-1-2-6-19(14)29-21(18)25)23-15-7-9-17(10-8-15)30(26,27)22-13-16-5-3-11-28-16/h1-2,4,6-10,12,16,22H,3,5,11,13H2,(H,23,24)/t16-/m0/s1
InChIKeyYAUZVFSSFFUORM-INIZCTEOSA-N
MW428.47 g/mol
LogP2.50
Rot. Bonds6

About 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide

2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide (PubChem CID 1137148) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
PubChem CID1137148
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O6S/c24-20(18-12-14-4-1-2-6-19(14)29-21(18)25)23-15-7-9-17(10-8-15)30(26,27)22-13-16-5-3-11-28-16/h1-2,4,6-10,12,16,22H,3,5,11,13H2,(H,23,24)/t16-/m0/s1
InChIKeyYAUZVFSSFFUORM-INIZCTEOSA-N
XLogP2.50
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
2-bromo-N-naphthalen-2-yl-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 25362129
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
2-naphthalen-2-yloxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105928
2,4-dinitro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147099
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161277
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide (CID 1137148) is 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide?
The InChIKey is YAUZVFSSFFUORM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20N2O6S/c24-20(18-12-14-4-1-2-6-19(14)29-21(18)25)23-15-7-9-17(10-8-15)30(26,27)22-13-16-5-3-11-28-16/h1-2,4,6-10,12,16,22H,3,5,11,13H2,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide?
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide is sourced from PubChem (CID 1137148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).