N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

C23H25N3O3S2 — CID 4228919

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3S2/c1-16-7-6-14-26(15-16)31(28,29)20-12-10-19(11-13-20)22(27)25-23-24-21(17(2)30-23)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,27)
InChIKeyNYMIZGGYYBLPOB-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.79
Rot. Bonds5

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4228919) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4228919
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H25N3O3S2/c1-16-7-6-14-26(15-16)31(28,29)20-12-10-19(11-13-20)22(27)25-23-24-21(17(2)30-23)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,27)
InChIKeyNYMIZGGYYBLPOB-UHFFFAOYSA-N
XLogP4.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 3333979
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 40852738
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26841250
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5078395
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4118645
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4161079
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
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 41312748
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 4228919) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NYMIZGGYYBLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-16-7-6-14-26(15-16)31(28,29)20-12-10-19(11-13-20)22(27)25-23-24-21(17(2)30-23)18-8-4-3-5-9-18/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,24,25,27).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 455.61 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4228919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).