N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide

C24H28N2O4S — CID 2415373

IUPACN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O4S/c1-18-7-13-22(14-8-18)31(28,29)26(16-21-6-5-15-30-21)17-23(27)25-20-11-9-19(10-12-20)24(2,3)4/h5-15H,16-17H2,1-4H3,(H,25,27)
InChIKeyRMZPACKUCRJNIV-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.72
Rot. Bonds7

About N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide

N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 2415373) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID2415373
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc1
InChIInChI=1S/C24H28N2O4S/c1-18-7-13-22(14-8-18)31(28,29)26(16-21-6-5-15-30-21)17-23(27)25-20-11-9-19(10-12-20)24(2,3)4/h5-15H,16-17H2,1-4H3,(H,25,27)
InChIKeyRMZPACKUCRJNIV-UHFFFAOYSA-N
XLogP4.72
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24567615
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 86819602
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 31039784

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide (CID 2415373) is N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RMZPACKUCRJNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-18-7-13-22(14-8-18)31(28,29)26(16-21-6-5-15-30-21)17-23(27)25-20-11-9-19(10-12-20)24(2,3)4/h5-15H,16-17H2,1-4H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2415373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).