2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H24N2O3S2 — CID 38304433

IUPAC2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C23H24N2O3S2/c1-16-22(29-21(24-16)14-17-8-3-2-4-9-17)23(26)25-18-10-7-13-20(15-18)30(27,28)19-11-5-6-12-19/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyZQNHJGFMMBSECX-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.01
Rot. Bonds6

About 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 38304433) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID38304433
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C23H24N2O3S2/c1-16-22(29-21(24-16)14-17-8-3-2-4-9-17)23(26)25-18-10-7-13-20(15-18)30(27,28)19-11-5-6-12-19/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,25,26)
InChIKeyZQNHJGFMMBSECX-UHFFFAOYSA-N
XLogP5.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 39209798
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 49321700
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 38304433) is 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZQNHJGFMMBSECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-16-22(29-21(24-16)14-17-8-3-2-4-9-17)23(26)25-18-10-7-13-20(15-18)30(27,28)19-11-5-6-12-19/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,25,26).
What are the key properties of 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-cyclopentylsulfonylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38304433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).