N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

C24H27N3O3S2 — CID 40817062

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)c1
InChIInChI=1S/C24H27N3O3S2/c1-16-6-7-18(3)21(13-16)22-15-31-24(25-22)26-23(28)19-8-10-20(11-9-19)32(29,30)27-12-4-5-17(2)14-27/h6-11,13,15,17H,4-5,12,14H2,1-3H3,(H,25,26,28)/t17-/m1/s1
InChIKeyZYHMTICOJPFDSG-QGZVFWFLSA-N
MW469.63 g/mol
LogP5.10
Rot. Bonds5

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 40817062) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID40817062
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)c1
InChIInChI=1S/C24H27N3O3S2/c1-16-6-7-18(3)21(13-16)22-15-31-24(25-22)26-23(28)19-8-10-20(11-9-19)32(29,30)27-12-4-5-17(2)14-27/h6-11,13,15,17H,4-5,12,14H2,1-3H3,(H,25,26,28)/t17-/m1/s1
InChIKeyZYHMTICOJPFDSG-QGZVFWFLSA-N
XLogP5.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27736732
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4118645
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817076
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 3624200
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5078395
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4180781
4-(3-methylpiperidin-1-yl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4226551
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4205185
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 52713593
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide (CID 40817062) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is ZYHMTICOJPFDSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-16-6-7-18(3)21(13-16)22-15-31-24(25-22)26-23(28)19-8-10-20(11-9-19)32(29,30)27-12-4-5-17(2)14-27/h6-11,13,15,17H,4-5,12,14H2,1-3H3,(H,25,26,28)/t17-/m1/s1.
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 469.63 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 40817062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).