N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide

C21H22N2O4S — CID 18100578

IUPACN-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-17-10-12-20(13-11-17)28(25,26)22(2)16-21(24)23(15-19-9-6-14-27-19)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3
InChIKeyKYAWTPAKROARSM-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.44
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide

N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide (PubChem CID 18100578) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
PubChem CID18100578
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-17-10-12-20(13-11-17)28(25,26)22(2)16-21(24)23(15-19-9-6-14-27-19)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3
InChIKeyKYAWTPAKROARSM-UHFFFAOYSA-N
XLogP3.44
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide (CID 18100578) is N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccco2)c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
The InChIKey is KYAWTPAKROARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-17-10-12-20(13-11-17)28(25,26)22(2)16-21(24)23(15-19-9-6-14-27-19)18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide?
N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide has a molecular weight of 398.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 18100578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).