N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide

C19H23FN2O3S — CID 113066900

IUPACN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-16(12-15(14)2)19(23)21-10-11-22(26(3,24)25)13-17-6-4-5-7-18(17)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQPNUDRDMLGYHIX-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.63
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide

N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide (PubChem CID 113066900) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
PubChem CID113066900
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-16(12-15(14)2)19(23)21-10-11-22(26(3,24)25)13-17-6-4-5-7-18(17)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyQPNUDRDMLGYHIX-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066639
tert-butyl N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066925
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide (CID 113066900) is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCN(Cc2ccccc2F)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide?
The InChIKey is QPNUDRDMLGYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-8-9-16(12-15(14)2)19(23)21-10-11-22(26(3,24)25)13-17-6-4-5-7-18(17)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide?
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113066900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).