N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

C18H23N3O3S2 — CID 121122580

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-13-17(25-14(2)20-13)12-19-18(22)15-6-8-16(9-7-15)26(23,24)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,19,22)
InChIKeyHHJIXKPKHLYAHF-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.86
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 121122580) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID121122580
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C18H23N3O3S2/c1-13-17(25-14(2)20-13)12-19-18(22)15-6-8-16(9-7-15)26(23,24)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,19,22)
InChIKeyHHJIXKPKHLYAHF-UHFFFAOYSA-N
XLogP2.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736256
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 60531752
N-[(1-methylimidazol-2-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 110446701
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 20973698
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 91819364
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide (CID 121122580) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is Cc1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HHJIXKPKHLYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-17(25-14(2)20-13)12-19-18(22)15-6-8-16(9-7-15)26(23,24)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,19,22).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 121122580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).