cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate

C26H24Cl2FN3O4S — CID 69433229

IUPACcyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate
SMILESO=C(Nc1cc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)OC1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C26H24Cl2FN3O4S/c27-18-7-4-8-19(28)23(18)32-26(35)31-20-13-21(15-9-11-16(29)12-10-15)37-24(20)25(34)30-14-22(33)36-17-5-2-1-3-6-17/h4,7-13,17H,1-3,5-6,14H2,(H,30,34)(H2,31,32,35)
InChIKeyXIUKWVSWCYJRJK-UHFFFAOYSA-N
MW564.47 g/mol
LogP7.11
Rot. Bonds7

About cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate

cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate (PubChem CID 69433229) has the molecular formula C26H24Cl2FN3O4S and a molecular weight of 564.47 g/mol. Its IUPAC name is cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate
PubChem CID69433229
Molecular FormulaC26H24Cl2FN3O4S
Molecular Weight564.47 g/mol
Exact Mass563.08
IUPAC Namecyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate
SMILESO=C(Nc1cc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)OC1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C26H24Cl2FN3O4S/c27-18-7-4-8-19(28)23(18)32-26(35)31-20-13-21(15-9-11-16(29)12-10-15)37-24(20)25(34)30-14-22(33)36-17-5-2-1-3-6-17/h4,7-13,17H,1-3,5-6,14H2,(H,30,34)(H2,31,32,35)
InChIKeyXIUKWVSWCYJRJK-UHFFFAOYSA-N
XLogP7.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.47
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate?
The IUPAC name of cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate (CID 69433229) is cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate.
What is the SMILES notation for cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate?
The canonical SMILES for cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate is O=C(Nc1cc(-c2ccc(F)cc2)sc1C(=O)NCC(=O)OC1CCCCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate?
The InChIKey is XIUKWVSWCYJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN3O4S/c27-18-7-4-8-19(28)23(18)32-26(35)31-20-13-21(15-9-11-16(29)12-10-15)37-24(20)25(34)30-14-22(33)36-17-5-2-1-3-6-17/h4,7-13,17H,1-3,5-6,14H2,(H,30,34)(H2,31,32,35).
What are the key properties of cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate?
cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate has a molecular weight of 564.47 g/mol, XLogP of 7.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[3-[(2,6-dichlorophenyl)carbamoylamino]-5-(4-fluorophenyl)thiophene-2-carbonyl]amino]acetate is sourced from PubChem (CID 69433229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).