2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide

C25H28N2O5S — CID 41154762

IUPAC2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-18(2)23-9-5-6-10-24(23)26-25(29)17-27(16-21-8-7-15-32-21)33(30,31)22-13-11-20(12-14-22)19(3)28/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyFNKCAOMQKOLGDK-GOSISDBHSA-N
MW468.58 g/mol
LogP4.83
Rot. Bonds10

About 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide

2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide (PubChem CID 41154762) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
PubChem CID41154762
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-18(2)23-9-5-6-10-24(23)26-25(29)17-27(16-21-8-7-15-32-21)33(30,31)22-13-11-20(12-14-22)19(3)28/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyFNKCAOMQKOLGDK-GOSISDBHSA-N
XLogP4.83
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7718780
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
N-(2-ethoxyphenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150359
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24662820
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide (CID 41154762) is 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide is CC[C@@H](C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The InChIKey is FNKCAOMQKOLGDK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-18(2)23-9-5-6-10-24(23)26-25(29)17-27(16-21-8-7-15-32-21)33(30,31)22-13-11-20(12-14-22)19(3)28/h5-15,18H,4,16-17H2,1-3H3,(H,26,29)/t18-/m1/s1.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 41154762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).