N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C23H27N3O6S2 — CID 5147041

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)ccc1C
InChIInChI=1S/C23H27N3O6S2/c1-4-26(5-2)34(30,31)22-15-19(11-8-17(22)3)25-23(27)18-9-12-21(13-10-18)33(28,29)24-16-20-7-6-14-32-20/h6-15,24H,4-5,16H2,1-3H3,(H,25,27)
InChIKeySYJDSXQAVKDGLS-UHFFFAOYSA-N
MW505.62 g/mol
LogP3.35
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 5147041) has the molecular formula C23H27N3O6S2 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID5147041
Molecular FormulaC23H27N3O6S2
Molecular Weight505.62 g/mol
Exact Mass505.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)ccc1C
InChIInChI=1S/C23H27N3O6S2/c1-4-26(5-2)34(30,31)22-15-19(11-8-17(22)3)25-23(27)18-9-12-21(13-10-18)33(28,29)24-16-20-7-6-14-32-20/h6-15,24H,4-5,16H2,1-3H3,(H,25,27)
InChIKeySYJDSXQAVKDGLS-UHFFFAOYSA-N
XLogP3.35
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 5147041) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is SYJDSXQAVKDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S2/c1-4-26(5-2)34(30,31)22-15-19(11-8-17(22)3)25-23(27)18-9-12-21(13-10-18)33(28,29)24-16-20-7-6-14-32-20/h6-15,24H,4-5,16H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 505.62 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 5147041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).