N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide

C20H24N2O4S — CID 26313396

IUPACN-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)20(24)17-10-7-11-18(13-17)21-19(23)16-9-6-8-15(12-16)14-27(3,25)26/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXONIKMXROQZTIK-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.97
Rot. Bonds7

About N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide

N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 26313396) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID26313396
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-4-22(5-2)20(24)17-10-7-11-18(13-17)21-19(23)16-9-6-8-15(12-16)14-27(3,25)26/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyXONIKMXROQZTIK-UHFFFAOYSA-N
XLogP2.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55862321
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide (CID 26313396) is N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is XONIKMXROQZTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-22(5-2)20(24)17-10-7-11-18(13-17)21-19(23)16-9-6-8-15(12-16)14-27(3,25)26/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26313396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).