2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

C23H24N4O3S — CID 41211729

IUPAC2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N4O3S/c28-21(24-17-10-12-20(13-11-17)30-19-8-2-1-3-9-19)14-18-15-31-23(26-18)27-22(29)25-16-6-4-5-7-16/h1-3,8-13,15-16H,4-7,14H2,(H,24,28)(H2,25,26,27,29)
InChIKeyMUDBIIJHOSYPOR-UHFFFAOYSA-N
MW436.54 g/mol
LogP5.18
Rot. Bonds7

About 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide

2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 41211729) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID41211729
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N4O3S/c28-21(24-17-10-12-20(13-11-17)30-19-8-2-1-3-9-19)14-18-15-31-23(26-18)27-22(29)25-16-6-4-5-7-16/h1-3,8-13,15-16H,4-7,14H2,(H,24,28)(H2,25,26,27,29)
InChIKeyMUDBIIJHOSYPOR-UHFFFAOYSA-N
XLogP5.18
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 27652941
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,5-dichlorophenyl)acetamide
CID 41211744
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27542821
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 43996974
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide (CID 41211729) is 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide is O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is MUDBIIJHOSYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(24-17-10-12-20(13-11-17)30-19-8-2-1-3-9-19)14-18-15-31-23(26-18)27-22(29)25-16-6-4-5-7-16/h1-3,8-13,15-16H,4-7,14H2,(H,24,28)(H2,25,26,27,29).
What are the key properties of 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide?
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 436.54 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 41211729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).