4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C22H22N2O4S — CID 18274021

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(24-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-19(13-11-17)29(26,27)23-15-18-7-4-14-28-18/h3-4,6-7,9-14,23H,1-2,5,8,15H2,(H,24,25)
InChIKeyPKOHVQXRAVVZHA-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.89
Rot. Bonds6

About 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 18274021) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID18274021
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O4S/c25-22(24-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-19(13-11-17)29(26,27)23-15-18-7-4-14-28-18/h3-4,6-7,9-14,23H,1-2,5,8,15H2,(H,24,25)
InChIKeyPKOHVQXRAVVZHA-UHFFFAOYSA-N
XLogP3.89
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
N-(3-chloro-2-fluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9146107
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
4-[(4-fluorophenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18278956
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 7534970
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 18274021) is 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is O=C(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is PKOHVQXRAVVZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(24-21-9-3-6-16-5-1-2-8-20(16)21)17-10-12-19(13-11-17)29(26,27)23-15-18-7-4-14-28-18/h3-4,6-7,9-14,23H,1-2,5,8,15H2,(H,24,25).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 18274021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).