N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide

C20H22Cl2N2O4S — CID 24856279

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-3-24(13-19(25)23-18-12-16(22)5-4-14(18)2)20(26)10-11-29(27,28)17-8-6-15(21)7-9-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,25)
InChIKeyVKVQTXOAXGCKGV-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.95
Rot. Bonds8

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide (PubChem CID 24856279) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
PubChem CID24856279
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-3-24(13-19(25)23-18-12-16(22)5-4-14(18)2)20(26)10-11-29(27,28)17-8-6-15(21)7-9-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,25)
InChIKeyVKVQTXOAXGCKGV-UHFFFAOYSA-N
XLogP3.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide (CID 24856279) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide?
The InChIKey is VKVQTXOAXGCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-3-24(13-19(25)23-18-12-16(22)5-4-14(18)2)20(26)10-11-29(27,28)17-8-6-15(21)7-9-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide has a molecular weight of 457.38 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-(4-chlorophenyl)sulfonyl-N-ethylpropanamide is sourced from PubChem (CID 24856279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).