N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide

C19H23FN2O3S — CID 55950746

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H23FN2O3S/c1-13-5-10-16(26(4,24)25)11-17(13)19(23)21-12-18(22(2)3)14-6-8-15(20)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,23)
InChIKeyICGCNFZAKNLRQP-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 55950746) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID55950746
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C19H23FN2O3S/c1-13-5-10-16(26(4,24)25)11-17(13)19(23)21-12-18(22(2)3)14-6-8-15(20)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,23)
InChIKeyICGCNFZAKNLRQP-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 ≤ 104

Analyze N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide (CID 55950746) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(c1ccc(F)cc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is ICGCNFZAKNLRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13-5-10-16(26(4,24)25)11-17(13)19(23)21-12-18(22(2)3)14-6-8-15(20)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 55950746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).