N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C18H20F2N2O4S — CID 51150363

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H20F2N2O4S/c1-11(14-7-6-13(19)10-15(14)20)21-18(23)12-5-8-16(26-4)17(9-12)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)
InChIKeyDQGQUBVWRXDWPK-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.71
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 51150363) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID51150363
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H20F2N2O4S/c1-11(14-7-6-13(19)10-15(14)20)21-18(23)12-5-8-16(26-4)17(9-12)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)
InChIKeyDQGQUBVWRXDWPK-UHFFFAOYSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 60596662
3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
CID 95782737
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
3-(diethylsulfamoyl)-4-methoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402509
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 51150363) is N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is DQGQUBVWRXDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-11(14-7-6-13(19)10-15(14)20)21-18(23)12-5-8-16(26-4)17(9-12)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 398.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 51150363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).