N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide

C18H19Cl2N3O4S — CID 24547916

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c1-12-15(20)3-2-4-16(12)23-18(25)11-21-17(24)9-10-22-28(26,27)14-7-5-13(19)6-8-14/h2-8,22H,9-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyIQBSCCWSHNVAOZ-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 24547916) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID24547916
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c1-12-15(20)3-2-4-16(12)23-18(25)11-21-17(24)9-10-22-28(26,27)14-7-5-13(19)6-8-14/h2-8,22H,9-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyIQBSCCWSHNVAOZ-UHFFFAOYSA-N
XLogP2.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 26589741
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24681682
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 17225616
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543914

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide (CID 24547916) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is IQBSCCWSHNVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-12-15(20)3-2-4-16(12)23-18(25)11-21-17(24)9-10-22-28(26,27)14-7-5-13(19)6-8-14/h2-8,22H,9-11H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 444.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24547916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).