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

C23H25N3O3S2 — CID 99142497

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-17-11-13-26(14-12-17)31(28,29)21-9-7-19(8-10-21)22(27)25-23-24-16-20(30-23)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,24,25,27)
InChIKeyBPHBIPAWLBVLKE-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.41
Rot. Bonds6

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

N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 99142497) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID99142497
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C23H25N3O3S2/c1-17-11-13-26(14-12-17)31(28,29)21-9-7-19(8-10-21)22(27)25-23-24-16-20(30-23)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,24,25,27)
InChIKeyBPHBIPAWLBVLKE-UHFFFAOYSA-N
XLogP4.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4145482
1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2678127
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4571630
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 16559311
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 99142497) is N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc2)CC1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BPHBIPAWLBVLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-17-11-13-26(14-12-17)31(28,29)21-9-7-19(8-10-21)22(27)25-23-24-16-20(30-23)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,24,25,27).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 455.61 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 99142497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).