[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

C19H25N3O7S — CID 4305442

IUPAC[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H25N3O7S/c1-13(23)21-15-7-9-16(10-8-15)30(27,28)20-11-18(25)29-12-17(24)22-19(26)14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyFFCNIIMALVFATJ-UHFFFAOYSA-N
MW439.49 g/mol
LogP0.69
Rot. Bonds8

About [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 4305442) has the molecular formula C19H25N3O7S and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID4305442
Molecular FormulaC19H25N3O7S
Molecular Weight439.49 g/mol
Exact Mass439.14
IUPAC Name[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H25N3O7S/c1-13(23)21-15-7-9-16(10-8-15)30(27,28)20-11-18(25)29-12-17(24)22-19(26)14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,23)(H,22,24,26)
InChIKeyFFCNIIMALVFATJ-UHFFFAOYSA-N
XLogP0.69
TPSA147.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

ethyl (1S,3R)-3-({[4-(acetylamino)phenyl]sulfonyl}amino)cyclohexanecarboxylate
CID 657995
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488
[2-(4-Cyanoanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2077902
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 2549829
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-cyclohexylpropanamide
CID 2947893
3-(4-Acetylamino-benzenesulfonylamino)-cyclohexanecarboxylic acid ethyl ester
CID 3112773
4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-(3-methylbutyl)cyclohexanecarboxamide
CID 3236166
Ethyl 2-(N-benzyl4-acetamidobenzenesulfonamido)acetate
CID 3239570
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 3491776

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 4305442) is [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is FFCNIIMALVFATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7S/c1-13(23)21-15-7-9-16(10-8-15)30(27,28)20-11-18(25)29-12-17(24)22-19(26)14-5-3-2-4-6-14/h7-10,14,20H,2-6,11-12H2,1H3,(H,21,23)(H,22,24,26).
What are the key properties of [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 439.49 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 4305442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).