2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C22H22Cl2N2O4S — CID 25498286

IUPAC2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H22Cl2N2O4S/c1-14-9-15(2)22(16(3)10-14)25-21(27)13-26(12-17-5-4-8-30-17)31(28,29)18-6-7-19(23)20(24)11-18/h4-11H,12-13H2,1-3H3,(H,25,27)
InChIKeyMPHLRDCVPRKXBA-UHFFFAOYSA-N
MW481.40 g/mol
LogP5.34
Rot. Bonds7

About 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 25498286) has the molecular formula C22H22Cl2N2O4S and a molecular weight of 481.40 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID25498286
Molecular FormulaC22H22Cl2N2O4S
Molecular Weight481.40 g/mol
Exact Mass480.07
IUPAC Name2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C22H22Cl2N2O4S/c1-14-9-15(2)22(16(3)10-14)25-21(27)13-26(12-17-5-4-8-30-17)31(28,29)18-6-7-19(23)20(24)11-18/h4-11H,12-13H2,1-3H3,(H,25,27)
InChIKeyMPHLRDCVPRKXBA-UHFFFAOYSA-N
XLogP5.34
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112787957
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 4793403
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 21373432
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
N-(2,6-dichlorophenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150398
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126371863
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 24662836
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 29282555

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 25498286) is 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is MPHLRDCVPRKXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4S/c1-14-9-15(2)22(16(3)10-14)25-21(27)13-26(12-17-5-4-8-30-17)31(28,29)18-6-7-19(23)20(24)11-18/h4-11H,12-13H2,1-3H3,(H,25,27).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 481.40 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 25498286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).