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

C22H25N3O4S2 — CID 24525157

IUPAC2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)o2)cs1
InChIInChI=1S/C22H25N3O4S2/c1-15-6-8-18(31(27,28)25-10-4-3-5-11-25)12-19(15)22(26)23-13-17-7-9-21(29-17)20-14-30-16(2)24-20/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,26)
InChIKeyCZFMFFHSXOPUNE-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.12
Rot. Bonds6

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

2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 24525157) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID24525157
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC Name2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)o2)cs1
InChIInChI=1S/C22H25N3O4S2/c1-15-6-8-18(31(27,28)25-10-4-3-5-11-25)12-19(15)22(26)23-13-17-7-9-21(29-17)20-14-30-16(2)24-20/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,26)
InChIKeyCZFMFFHSXOPUNE-UHFFFAOYSA-N
XLogP4.12
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558214
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55389787
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide (CID 24525157) is 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide is Cc1nc(-c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)o2)cs1.
What is the InChIKey of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CZFMFFHSXOPUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-15-6-8-18(31(27,28)25-10-4-3-5-11-25)12-19(15)22(26)23-13-17-7-9-21(29-17)20-14-30-16(2)24-20/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24525157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).