4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide

C24H23ClN2O4S — CID 55891149

IUPAC4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O4S/c1-3-27(20-7-5-4-6-8-20)23(28)15-17-9-12-19(13-10-17)26-24(29)18-11-14-21(25)22(16-18)32(2,30)31/h4-14,16H,3,15H2,1-2H3,(H,26,29)
InChIKeyKDOKBHJKNTWYFD-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.59
Rot. Bonds7

About 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide

4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide (PubChem CID 55891149) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
PubChem CID55891149
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O4S/c1-3-27(20-7-5-4-6-8-20)23(28)15-17-9-12-19(13-10-17)26-24(29)18-11-14-21(25)22(16-18)32(2,30)31/h4-14,16H,3,15H2,1-2H3,(H,26,29)
InChIKeyKDOKBHJKNTWYFD-UHFFFAOYSA-N
XLogP4.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 30499426
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide (CID 55891149) is 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide is CCN(C(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is KDOKBHJKNTWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-3-27(20-7-5-4-6-8-20)23(28)15-17-9-12-19(13-10-17)26-24(29)18-11-14-21(25)22(16-18)32(2,30)31/h4-14,16H,3,15H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 470.98 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 55891149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).