N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C26H32N4O3S — CID 55721701

IUPACN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2)cc1
InChIInChI=1S/C26H32N4O3S/c1-20-10-12-25(13-11-20)34(32,33)29-17-14-22(15-18-29)26(31)27-16-6-7-23-19-30(28-21(23)2)24-8-4-3-5-9-24/h3-5,8-13,19,22H,6-7,14-18H2,1-2H3,(H,27,31)
InChIKeyDJPFMJBTHWRDQV-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.64
Rot. Bonds8

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

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55721701) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55721701
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2)cc1
InChIInChI=1S/C26H32N4O3S/c1-20-10-12-25(13-11-20)34(32,33)29-17-14-22(15-18-29)26(31)27-16-6-7-23-19-30(28-21(23)2)24-8-4-3-5-9-24/h3-5,8-13,19,22H,6-7,14-18H2,1-2H3,(H,27,31)
InChIKeyDJPFMJBTHWRDQV-UHFFFAOYSA-N
XLogP3.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649073
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46426869
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
1-(4-methylphenyl)sulfonyl-N-[3-(2-phenylethoxy)propyl]piperidine-4-carboxamide
CID 55861964
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41412986
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38441347
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38463572

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 55721701) is N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2)cc1.
What is the InChIKey of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DJPFMJBTHWRDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-20-10-12-25(13-11-20)34(32,33)29-17-14-22(15-18-29)26(31)27-16-6-7-23-19-30(28-21(23)2)24-8-4-3-5-9-24/h3-5,8-13,19,22H,6-7,14-18H2,1-2H3,(H,27,31).
What are the key properties of N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55721701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).