N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide

C18H21FN2O5S — CID 113069746

IUPACN-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-16-10-13(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)15-6-4-14(19)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyODQRVWUHRNEDPA-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.04
Rot. Bonds8

About N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide

N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113069746) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
PubChem CID113069746
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O5S/c1-25-16-10-13(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)15-6-4-14(19)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,22)
InChIKeyODQRVWUHRNEDPA-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708664
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113071036
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide (CID 113069746) is N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ODQRVWUHRNEDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-25-16-10-13(11-17(12-16)26-2)18(22)20-8-9-21(27(3,23)24)15-6-4-14(19)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 396.44 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113069746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).