2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C27H30ClFN2O6S — CID 100792827

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(C)C(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H30ClFN2O6S/c1-18-9-11-20(12-10-18)38(33,34)31(16-21-22(28)7-6-8-23(21)29)17-26(32)30(2)15-19-13-24(35-3)27(37-5)25(14-19)36-4/h6-14H,15-17H2,1-5H3
InChIKeyJYZVRAOLYJTHNF-UHFFFAOYSA-N
MW565.06 g/mol
LogP4.66
Rot. Bonds11

About 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 100792827) has the molecular formula C27H30ClFN2O6S and a molecular weight of 565.06 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID100792827
Molecular FormulaC27H30ClFN2O6S
Molecular Weight565.06 g/mol
Exact Mass564.15
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(C)C(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H30ClFN2O6S/c1-18-9-11-20(12-10-18)38(33,34)31(16-21-22(28)7-6-8-23(21)29)17-26(32)30(2)15-19-13-24(35-3)27(37-5)25(14-19)36-4/h6-14H,15-17H2,1-5H3
InChIKeyJYZVRAOLYJTHNF-UHFFFAOYSA-N
XLogP4.66
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.06
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100792892
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126013776
N-benzyl-2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-methylacetamide
CID 126067649
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126013513
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100796604
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1276550
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126064839
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 126011436
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43872007
N-[(2-chloro-6-fluorophenyl)methyl]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 126069586

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 100792827) is 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CN(C)C(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is JYZVRAOLYJTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN2O6S/c1-18-9-11-20(12-10-18)38(33,34)31(16-21-22(28)7-6-8-23(21)29)17-26(32)30(2)15-19-13-24(35-3)27(37-5)25(14-19)36-4/h6-14H,15-17H2,1-5H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 565.06 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 100792827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).