[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate

C18H19ClN2O5S — CID 7978236

IUPAC[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-13-6-8-14(9-7-13)21-17(22)12-26-18(23)10-11-20-27(24,25)16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3,(H,21,22)
InChIKeySHSQQAWUKXCIOM-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.50
Rot. Bonds8

About [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate

[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate (PubChem CID 7978236) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
PubChem CID7978236
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
SMILESCc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O5S/c1-13-6-8-14(9-7-13)21-17(22)12-26-18(23)10-11-20-27(24,25)16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3,(H,21,22)
InChIKeySHSQQAWUKXCIOM-UHFFFAOYSA-N
XLogP2.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 8574931
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978128
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7148813
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978211
[2-(4-methylanilino)-2-oxoethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066471
[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602588
[2-(3-fluoroanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976982
3-[(2-chlorophenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 35026494
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate (CID 7978236) is [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate is Cc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is SHSQQAWUKXCIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-13-6-8-14(9-7-13)21-17(22)12-26-18(23)10-11-20-27(24,25)16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate?
[2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 410.88 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7978236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).