4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

C22H23N3O3S2 — CID 55817472

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O3S2/c1-16-8-9-17(15-20(16)30(27,28)25-11-3-2-4-12-25)21(26)24-19-7-5-6-18(14-19)22-23-10-13-29-22/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyAANLJVKECQICMP-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.55
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 55817472) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID55817472
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O3S2/c1-16-8-9-17(15-20(16)30(27,28)25-11-3-2-4-12-25)21(26)24-19-7-5-6-18(14-19)22-23-10-13-29-22/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyAANLJVKECQICMP-UHFFFAOYSA-N
XLogP4.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38009333
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55817376
1-(2,4-dimethylphenyl)sulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 55991355
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 32638426
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (CID 55817472) is 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is AANLJVKECQICMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-16-8-9-17(15-20(16)30(27,28)25-11-3-2-4-12-25)21(26)24-19-7-5-6-18(14-19)22-23-10-13-29-22/h5-10,13-15H,2-4,11-12H2,1H3,(H,24,26).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55817472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).