N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C19H22ClFN2O3S — CID 26198480

IUPACN-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-4-13-6-11-17(20)16(5-2)19(13)22-18(24)12-23(3)27(25,26)15-9-7-14(21)8-10-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyWDPLJEDQRMIKGT-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.86
Rot. Bonds7

About N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 26198480) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID26198480
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22ClFN2O3S/c1-4-13-6-11-17(20)16(5-2)19(13)22-18(24)12-23(3)27(25,26)15-9-7-14(21)8-10-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyWDPLJEDQRMIKGT-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100560523
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(3-chloro-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26198432
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8920403
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 26198480) is N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CCc1ccc(Cl)c(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is WDPLJEDQRMIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-4-13-6-11-17(20)16(5-2)19(13)22-18(24)12-23(3)27(25,26)15-9-7-14(21)8-10-15/h6-11H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 412.91 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 26198480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).