N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide

C21H20N2O4S2 — CID 41040754

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S2/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/h1-9,11,13,19,22H,10,12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyMEUUTIWJIDTXFI-LJQANCHMSA-N
MW428.54 g/mol
LogP3.72
Rot. Bonds6

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41040754) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID41040754
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S2/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/h1-9,11,13,19,22H,10,12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyMEUUTIWJIDTXFI-LJQANCHMSA-N
XLogP3.72
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 41176413
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55440616
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfonylmethyl)benzamide
CID 9117814
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 16559774
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide (CID 41040754) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide is O=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MEUUTIWJIDTXFI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O4S2/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/h1-9,11,13,19,22H,10,12,14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.72, 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-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41040754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).