N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C21H22N2O4S — CID 58892085

IUPACN-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H22N2O4S/c1-3-18(20-9-6-14-27-20)22-21(24)17-7-4-5-8-19(17)23-28(25,26)16-12-10-15(2)11-13-16/h4-14,18,23H,3H2,1-2H3,(H,22,24)
InChIKeyGYMXYINWQJHPSU-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 58892085) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID58892085
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H22N2O4S/c1-3-18(20-9-6-14-27-20)22-21(24)17-7-4-5-8-19(17)23-28(25,26)16-12-10-15(2)11-13-16/h4-14,18,23H,3H2,1-2H3,(H,22,24)
InChIKeyGYMXYINWQJHPSU-UHFFFAOYSA-N
XLogP4.27
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670901
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
5-methoxy-N-[1-(5-methylfuran-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892062
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 58892085) is N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is CCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is GYMXYINWQJHPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-18(20-9-6-14-27-20)22-21(24)17-7-4-5-8-19(17)23-28(25,26)16-12-10-15(2)11-13-16/h4-14,18,23H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 398.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 58892085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).