[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

C18H23Cl2N3O6S — CID 3426588

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H23Cl2N3O6S/c19-13-7-4-8-14(20)17(13)30(27,28)21-10-9-16(25)29-11-15(24)23-18(26)22-12-5-2-1-3-6-12/h4,7-8,12,21H,1-3,5-6,9-11H2,(H2,22,23,24,26)
InChIKeyPKBZDNTVSUCABS-UHFFFAOYSA-N
MW480.37 g/mol
LogP2.36
Rot. Bonds8

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 3426588) has the molecular formula C18H23Cl2N3O6S and a molecular weight of 480.37 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
PubChem CID3426588
Molecular FormulaC18H23Cl2N3O6S
Molecular Weight480.37 g/mol
Exact Mass479.07
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESO=C(COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H23Cl2N3O6S/c19-13-7-4-8-14(20)17(13)30(27,28)21-10-9-16(25)29-11-15(24)23-18(26)22-12-5-2-1-3-6-12/h4,7-8,12,21H,1-3,5-6,9-11H2,(H2,22,23,24,26)
InChIKeyPKBZDNTVSUCABS-UHFFFAOYSA-N
XLogP2.36
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 46791952
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3948557
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701620
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 18283671
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 32972641
[2-(cyclopentylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414480
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954163

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (CID 3426588) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is O=C(COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is PKBZDNTVSUCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O6S/c19-13-7-4-8-14(20)17(13)30(27,28)21-10-9-16(25)29-11-15(24)23-18(26)22-12-5-2-1-3-6-12/h4,7-8,12,21H,1-3,5-6,9-11H2,(H2,22,23,24,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 480.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3426588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).