N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C17H18N4O3S3 — CID 56555902

IUPACN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3CCCN3S(=O)(=O)c3cccs3)n[nH]2)s1
InChIInChI=1S/C17H18N4O3S3/c1-11-6-7-14(26-11)12-10-15(20-19-12)18-17(22)13-4-2-8-21(13)27(23,24)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8H2,1H3,(H2,18,19,20,22)
InChIKeyVOSXRYNKNCDUFA-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.30
Rot. Bonds5

About N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 56555902) has the molecular formula C17H18N4O3S3 and a molecular weight of 422.56 g/mol. Its IUPAC name is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID56555902
Molecular FormulaC17H18N4O3S3
Molecular Weight422.56 g/mol
Exact Mass422.05
IUPAC NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3CCCN3S(=O)(=O)c3cccs3)n[nH]2)s1
InChIInChI=1S/C17H18N4O3S3/c1-11-6-7-14(26-11)12-10-15(20-19-12)18-17(22)13-4-2-8-21(13)27(23,24)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8H2,1H3,(H2,18,19,20,22)
InChIKeyVOSXRYNKNCDUFA-UHFFFAOYSA-N
XLogP3.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56555581
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55976325
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
(2R)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42110611
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 56555905
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830717

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 56555902) is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(-c2cc(NC(=O)C3CCCN3S(=O)(=O)c3cccs3)n[nH]2)s1.
What is the InChIKey of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VOSXRYNKNCDUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S3/c1-11-6-7-14(26-11)12-10-15(20-19-12)18-17(22)13-4-2-8-21(13)27(23,24)16-5-3-9-25-16/h3,5-7,9-10,13H,2,4,8H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56555902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).