N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H23N3O3S — CID 55807846

IUPACN-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C23H23N3O3S/c27-21(25-19-12-6-7-13-20(19)29-18-10-4-5-11-18)14-17-15-30-23(24-17)26-22(28)16-8-2-1-3-9-16/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,25,27)(H,24,26,28)
InChIKeyCECKYXOWNVMRBT-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55807846) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55807846
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C23H23N3O3S/c27-21(25-19-12-6-7-13-20(19)29-18-10-4-5-11-18)14-17-15-30-23(24-17)26-22(28)16-8-2-1-3-9-16/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,25,27)(H,24,26,28)
InChIKeyCECKYXOWNVMRBT-UHFFFAOYSA-N
XLogP4.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 30275534
N-[4-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841886
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567903
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841919
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 46549313
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
N-[4-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 25497907
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 55807846) is N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccccc1OC1CCCC1.
What is the InChIKey of N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CECKYXOWNVMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-21(25-19-12-6-7-13-20(19)29-18-10-4-5-11-18)14-17-15-30-23(24-17)26-22(28)16-8-2-1-3-9-16/h1-3,6-9,12-13,15,18H,4-5,10-11,14H2,(H,25,27)(H,24,26,28).
What are the key properties of N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55807846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).