N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide

C19H23FN2O3S — CID 113069117

IUPACN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C19H23FN2O3S/c1-14-5-4-6-18(15(14)2)22(26(3,24)25)12-11-21-19(23)13-16-7-9-17(20)10-8-16/h4-10H,11-13H2,1-3H3,(H,21,23)
InChIKeyYDLRWDNAWSUMFN-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113069117) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113069117
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C19H23FN2O3S/c1-14-5-4-6-18(15(14)2)22(26(3,24)25)12-11-21-19(23)13-16-7-9-17(20)10-8-16/h4-10H,11-13H2,1-3H3,(H,21,23)
InChIKeyYDLRWDNAWSUMFN-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
(2S)-2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100582924
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069197
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
2-[4-(2,3-dimethyl-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132682870
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide (CID 113069117) is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide is Cc1cccc(N(CCNC(=O)Cc2ccc(F)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is YDLRWDNAWSUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-5-4-6-18(15(14)2)22(26(3,24)25)12-11-21-19(23)13-16-7-9-17(20)10-8-16/h4-10H,11-13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113069117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).