N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide

C27H31N3O3S2 — CID 56680215

IUPACN-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cccc(OC)c3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
InChIKeyFDOBTLVKJAHQEM-UHFFFAOYSA-N
MW509.70 g/mol
LogP6.07
Rot. Bonds12

About N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 56680215) has the molecular formula C27H31N3O3S2 and a molecular weight of 509.70 g/mol. Its IUPAC name is N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID56680215
Molecular FormulaC27H31N3O3S2
Molecular Weight509.70 g/mol
Exact Mass509.18
IUPAC NameN-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cccc(OC)c3)n[nH]c2-c2cccs2)cc1
InChIInChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
InChIKeyFDOBTLVKJAHQEM-UHFFFAOYSA-N
XLogP6.07
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 11179627
N-[2-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56670054
N-[2-[3-(3-methoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56676896
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 56683546
3-[5-(2-thiophen-2-ylethoxy)-1H-indazol-3-yl]benzenesulfonamide
CID 67454621
N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56663202
N-[2-[5-(2-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56666642
N-[(4-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396403
4-[3-(3-Methoxyphenyl)-1H-pyrazol-5-YL]-1-(4-methylbenzenesulfonyl)piperidine
CID 71839607
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 164640099
4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 19355222
5-(difluoromethyl)-4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole
CID 67639108

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide (CID 56680215) is N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cccc(OC)c3)n[nH]c2-c2cccs2)cc1.
What is the InChIKey of N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is FDOBTLVKJAHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30).
What are the key properties of N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 509.70 g/mol, XLogP of 6.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 56680215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).