4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide

C21H22N2O4S — CID 984376

IUPAC4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H22N2O4S/c1-15-5-6-16(2)20(12-15)28(25,26)23-13-17-7-9-18(10-8-17)21(24)22-14-19-4-3-11-27-19/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyRMDPQEQNENODMS-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.30
Rot. Bonds7

About 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide

4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 984376) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID984376
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H22N2O4S/c1-15-5-6-16(2)20(12-15)28(25,26)23-13-17-7-9-18(10-8-17)21(24)22-14-19-4-3-11-27-19/h3-12,23H,13-14H2,1-2H3,(H,22,24)
InChIKeyRMDPQEQNENODMS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 984376) is 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RMDPQEQNENODMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-15-5-6-16(2)20(12-15)28(25,26)23-13-17-7-9-18(10-8-17)21(24)22-14-19-4-3-11-27-19/h3-12,23H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide?
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 984376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).