N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C21H24N2O5S — CID 41411759

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C21H24N2O5S/c24-21(23-19-10-12-28-20-9-2-1-8-18(19)20)15-5-3-7-17(13-15)29(25,26)22-14-16-6-4-11-27-16/h1-3,5,7-9,13,16,19,22H,4,6,10-12,14H2,(H,23,24)/t16-,19-/m1/s1
InChIKeyXMDZAUSLTROEMQ-VQIMIIECSA-N
MW416.50 g/mol
LogP2.40
Rot. Bonds6

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 41411759) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID41411759
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C21H24N2O5S/c24-21(23-19-10-12-28-20-9-2-1-8-18(19)20)15-5-3-7-17(13-15)29(25,26)22-14-16-6-4-11-27-16/h1-3,5,7-9,13,16,19,22H,4,6,10-12,14H2,(H,23,24)/t16-,19-/m1/s1
InChIKeyXMDZAUSLTROEMQ-VQIMIIECSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75435845
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
3-[[(2-bromobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46652327
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9193334
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
3-[[(3-nitrobenzoyl)amino]carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 24539929

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 41411759) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is XMDZAUSLTROEMQ-VQIMIIECSA-N. The full InChI is InChI=1S/C21H24N2O5S/c24-21(23-19-10-12-28-20-9-2-1-8-18(19)20)15-5-3-7-17(13-15)29(25,26)22-14-16-6-4-11-27-16/h1-3,5,7-9,13,16,19,22H,4,6,10-12,14H2,(H,23,24)/t16-,19-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 416.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 41411759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).