N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide

C24H26N4O4S2 — CID 2160476

IUPACN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CS(=O)C2
InChIInChI=1S/C24H26N4O4S2/c1-17-7-3-4-8-22(17)28-23(20-15-33(30)16-21(20)26-28)25-24(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,25,29)
InChIKeySBHFHAFWSKZALR-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2160476) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2160476
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CS(=O)C2
InChIInChI=1S/C24H26N4O4S2/c1-17-7-3-4-8-22(17)28-23(20-15-33(30)16-21(20)26-28)25-24(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,25,29)
InChIKeySBHFHAFWSKZALR-UHFFFAOYSA-N
XLogP3.37
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[(5S)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 40592288
4-tert-butyl-N-[(5S)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863902
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CID 5164056
4-benzoyl-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3441790
N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 11883818
2-bromo-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3430003
N-[(5S)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
CID 41060243
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 2160365
N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4621626
N-[(5R)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 41060159
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 2160476) is N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CS(=O)C2.
What is the InChIKey of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SBHFHAFWSKZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-17-7-3-4-8-22(17)28-23(20-15-33(30)16-21(20)26-28)25-24(29)18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,25,29).
What are the key properties of N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).