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

C18H19ClN2O4S — CID 26678437

IUPAC4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H19ClN2O4S/c1-3-12-6-4-5-7-15(12)21-17(22)11-20-18(23)13-8-9-14(19)16(10-13)26(2,24)25/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMBAAMKNRNGKCQG-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.67
Rot. Bonds6

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

4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide (PubChem CID 26678437) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide
PubChem CID26678437
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H19ClN2O4S/c1-3-12-6-4-5-7-15(12)21-17(22)11-20-18(23)13-8-9-14(19)16(10-13)26(2,24)25/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMBAAMKNRNGKCQG-UHFFFAOYSA-N
XLogP2.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31288599
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 26905197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide (CID 26678437) is 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide?
The InChIKey is MBAAMKNRNGKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-3-12-6-4-5-7-15(12)21-17(22)11-20-18(23)13-8-9-14(19)16(10-13)26(2,24)25/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide?
4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 26678437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).