3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

C18H20ClN3O2S — CID 3597841

IUPAC3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CN(C(=O)c1cccc(Cl)c1)C1CCCCC1)Nc1nccs1
InChIInChI=1S/C18H20ClN3O2S/c19-14-6-4-5-13(11-14)17(24)22(15-7-2-1-3-8-15)12-16(23)21-18-20-9-10-25-18/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,21,23)
InChIKeyWUWFVPQOSZYJRS-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.21
Rot. Bonds5

About 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (PubChem CID 3597841) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
PubChem CID3597841
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
SMILESO=C(CN(C(=O)c1cccc(Cl)c1)C1CCCCC1)Nc1nccs1
InChIInChI=1S/C18H20ClN3O2S/c19-14-6-4-5-13(11-14)17(24)22(15-7-2-1-3-8-15)12-16(23)21-18-20-9-10-25-18/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,21,23)
InChIKeyWUWFVPQOSZYJRS-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 3705537
3-bromo-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 42771458
N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4155344
2-[cyclohexyl-(2-methoxyacetyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3290729
3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
3-methyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4554297
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 3651293
N-(cyclohexylmethyl)-3-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771456
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201
4-butoxy-N-(cyclohexylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4168579
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide (CID 3597841) is 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is O=C(CN(C(=O)c1cccc(Cl)c1)C1CCCCC1)Nc1nccs1.
What is the InChIKey of 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
The InChIKey is WUWFVPQOSZYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-14-6-4-5-13(11-14)17(24)22(15-7-2-1-3-8-15)12-16(23)21-18-20-9-10-25-18/h4-6,9-11,15H,1-3,7-8,12H2,(H,20,21,23).
What are the key properties of 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide?
3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide has a molecular weight of 377.90 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 3597841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).