[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

C19H21ClN2O5S — CID 18269031

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H21ClN2O5S/c1-14(19(24)22(2)16-6-4-3-5-7-16)27-18(23)12-13-21-28(25,26)17-10-8-15(20)9-11-17/h3-11,14,21H,12-13H2,1-2H3
InChIKeyAZCGICVSRPDHNA-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.60
Rot. Bonds8

About [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (PubChem CID 18269031) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
PubChem CID18269031
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
SMILESCC(OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H21ClN2O5S/c1-14(19(24)22(2)16-6-4-3-5-7-16)27-18(23)12-13-21-28(25,26)17-10-8-15(20)9-11-17/h3-11,14,21H,12-13H2,1-2H3
InChIKeyAZCGICVSRPDHNA-UHFFFAOYSA-N
XLogP2.60
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234535
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7429425
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738907
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 42899370
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602535
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883744
N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide
CID 10067092
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
propan-2-yl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 26540834
[(2S)-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 98417387
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)propanoate
CID 8880051

Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate (CID 18269031) is [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is CC(OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is AZCGICVSRPDHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-14(19(24)22(2)16-6-4-3-5-7-16)27-18(23)12-13-21-28(25,26)17-10-8-15(20)9-11-17/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate?
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 424.91 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 18269031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).