N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide

C18H20N2O4S — CID 38154380

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H20N2O4S/c1-4-25(23,24)16-11-6-5-10-15(16)17(21)19-14-9-7-8-13(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyUCIKSGMHEOMCKR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide

N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide (PubChem CID 38154380) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
PubChem CID38154380
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H20N2O4S/c1-4-25(23,24)16-11-6-5-10-15(16)17(21)19-14-9-7-8-13(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21)
InChIKeyUCIKSGMHEOMCKR-UHFFFAOYSA-N
XLogP2.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-ethylsulfonylbenzoyl)amino]benzoate
CID 51211880
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225
N-[3-(dipropylcarbamoyl)phenyl]-2-fluorobenzamide
CID 26162428
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide (CID 38154380) is N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide?
The InChIKey is UCIKSGMHEOMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-25(23,24)16-11-6-5-10-15(16)17(21)19-14-9-7-8-13(12-14)18(22)20(2)3/h5-12H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide?
N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2-ethylsulfonylbenzamide is sourced from PubChem (CID 38154380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).