N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C20H24ClN3O4S — CID 27858823

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H24ClN3O4S/c1-13-7-8-14(2)18(11-13)29(27,28)23-10-9-19(25)22-12-20(26)24-17-6-4-5-16(21)15(17)3/h4-8,11,23H,9-10,12H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyJQLMROYIJZFQTK-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 27858823) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID27858823
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H24ClN3O4S/c1-13-7-8-14(2)18(11-13)29(27,28)23-10-9-19(25)22-12-20(26)24-17-6-4-5-16(21)15(17)3/h4-8,11,23H,9-10,12H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyJQLMROYIJZFQTK-UHFFFAOYSA-N
XLogP2.69
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 26589741
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 42989426
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
CID 24583347
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 27858823) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is JQLMROYIJZFQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-13-7-8-14(2)18(11-13)29(27,28)23-10-9-19(25)22-12-20(26)24-17-6-4-5-16(21)15(17)3/h4-8,11,23H,9-10,12H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 437.95 g/mol, XLogP of 2.69, 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-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 27858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).