ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate

C21H27N3O5S2 — CID 41038012

IUPACethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1
InChIInChI=1S/C21H27N3O5S2/c1-4-29-19(25)10-17-13-30-21(22-17)23-20(26)16-5-7-18(8-6-16)31(27,28)24-11-14(2)9-15(3)12-24/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,23,26)/t14-,15-/m1/s1
InChIKeyOXTSAPVNTWSCIV-HUUCEWRRSA-N
MW465.60 g/mol
LogP3.17
Rot. Bonds7

About ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 41038012) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID41038012
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC Nameethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1
InChIInChI=1S/C21H27N3O5S2/c1-4-29-19(25)10-17-13-30-21(22-17)23-20(26)16-5-7-18(8-6-16)31(27,28)24-11-14(2)9-15(3)12-24/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,23,26)/t14-,15-/m1/s1
InChIKeyOXTSAPVNTWSCIV-HUUCEWRRSA-N
XLogP3.17
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-[[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43019007
4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24611202
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038006
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27736732
ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5079660
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038226
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
ethyl 2-[2-[[4-(cyclopropylmethoxy)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 60572662
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 41038013

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 41038012) is ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OXTSAPVNTWSCIV-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-4-29-19(25)10-17-13-30-21(22-17)23-20(26)16-5-7-18(8-6-16)31(27,28)24-11-14(2)9-15(3)12-24/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,23,26)/t14-,15-/m1/s1.
What are the key properties of ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 465.60 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 41038012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).