N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C24H30N4O3S2 — CID 46426869

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)C2)s1
InChIInChI=1S/C24H30N4O3S2/c1-18-12-13-23(32-18)33(30,31)27-15-7-9-21(16-27)24(29)25-14-6-8-20-17-28(26-19(20)2)22-10-4-3-5-11-22/h3-5,10-13,17,21H,6-9,14-16H2,1-2H3,(H,25,29)
InChIKeyHVENSTDYJXZYCS-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.70
Rot. Bonds8

About N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 46426869) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID46426869
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)C2)s1
InChIInChI=1S/C24H30N4O3S2/c1-18-12-13-23(32-18)33(30,31)27-15-7-9-21(16-27)24(29)25-14-6-8-20-17-28(26-19(20)2)22-10-4-3-5-11-22/h3-5,10-13,17,21H,6-9,14-16H2,1-2H3,(H,25,29)
InChIKeyHVENSTDYJXZYCS-UHFFFAOYSA-N
XLogP3.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55721701
1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 55526975
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571
N-[4-(4-methylpiperazin-1-yl)butyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656566
N-(4-imidazol-1-ylbutyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55980807
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643726
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 38554962
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55717146

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 46426869) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)C2)s1.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HVENSTDYJXZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-18-12-13-23(32-18)33(30,31)27-15-7-9-21(16-27)24(29)25-14-6-8-20-17-28(26-19(20)2)22-10-4-3-5-11-22/h3-5,10-13,17,21H,6-9,14-16H2,1-2H3,(H,25,29).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 486.66 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46426869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).