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

C17H24N4O3S2 — CID 56555581

IUPACN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C17H24N4O3S2/c1-3-10-26(23,24)21-9-5-4-6-14(21)17(22)18-16-11-13(19-20-16)15-8-7-12(2)25-15/h7-8,11,14H,3-6,9-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyRGJYJDGGSQAVCA-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.98
Rot. Bonds6

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

N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 56555581) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID56555581
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C17H24N4O3S2/c1-3-10-26(23,24)21-9-5-4-6-14(21)17(22)18-16-11-13(19-20-16)15-8-7-12(2)25-15/h7-8,11,14H,3-6,9-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyRGJYJDGGSQAVCA-UHFFFAOYSA-N
XLogP2.98
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555902
1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 56555905
(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166204360
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527275
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 146088881

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide (CID 56555581) is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is RGJYJDGGSQAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-3-10-26(23,24)21-9-5-4-6-14(21)17(22)18-16-11-13(19-20-16)15-8-7-12(2)25-15/h7-8,11,14H,3-6,9-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 56555581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).