(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

C19H21N3O6S — CID 55634611

IUPAC(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-13(23)22-16-5-7-17(8-6-16)29(26,27)21-10-9-18(24)28-12-14-3-2-4-15(11-14)19(20)25/h2-8,11,21H,9-10,12H2,1H3,(H2,20,25)(H,22,23)
InChIKeyRSLPLMKFYZTMSI-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.16
Rot. Bonds9

About (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 55634611) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID55634611
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-13(23)22-16-5-7-17(8-6-16)29(26,27)21-10-9-18(24)28-12-14-3-2-4-15(11-14)19(20)25/h2-8,11,21H,9-10,12H2,1H3,(H2,20,25)(H,22,23)
InChIKeyRSLPLMKFYZTMSI-UHFFFAOYSA-N
XLogP1.16
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30666166
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 42915856
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55539361
[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30441665
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55556510
3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
CID 32636101
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
CID 7725653
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870395
methyl 3-[4-(naphthalen-2-ylsulfonylamino)butanoyloxymethyl]benzoate
CID 31396725
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 55634611) is (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is RSLPLMKFYZTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13(23)22-16-5-7-17(8-6-16)29(26,27)21-10-9-18(24)28-12-14-3-2-4-15(11-14)19(20)25/h2-8,11,21H,9-10,12H2,1H3,(H2,20,25)(H,22,23).
What are the key properties of (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 419.46 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55634611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).